2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide

C30H42Cl2N6O4S — CID 58679218

IUPAC2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)C(C)(C)C1=O
InChIInChI=1S/C30H42Cl2N6O4S/c1-8-36(9-2)14-13-33-23(39)18-37-15-16-38(30(6,7)27(37)41)26(40)19-17-22(29(3,4)5)43-25(19)35-28(42)34-21-12-10-11-20(31)24(21)32/h10-12,17H,8-9,13-16,18H2,1-7H3,(H,33,39)(H2,34,35,42)
InChIKeyQBLVXTHNCBFMAU-UHFFFAOYSA-N
MW653.68 g/mol
LogP5.52
Rot. Bonds10

About 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide

2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 58679218) has the molecular formula C30H42Cl2N6O4S and a molecular weight of 653.68 g/mol. Its IUPAC name is 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID58679218
Molecular FormulaC30H42Cl2N6O4S
Molecular Weight653.68 g/mol
Exact Mass652.24
IUPAC Name2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)C(C)(C)C1=O
InChIInChI=1S/C30H42Cl2N6O4S/c1-8-36(9-2)14-13-33-23(39)18-37-15-16-38(30(6,7)27(37)41)26(40)19-17-22(29(3,4)5)43-25(19)35-28(42)34-21-12-10-11-20(31)24(21)32/h10-12,17H,8-9,13-16,18H2,1-7H3,(H,33,39)(H2,34,35,42)
InChIKeyQBLVXTHNCBFMAU-UHFFFAOYSA-N
XLogP5.52
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.68
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-methoxyacetamide
CID 58679226
1-[5-tert-butyl-3-[4-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3-oxopiperazine-1-carbonyl]thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
CID 58679385
2-[4-[5-tert-butyl-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]thiophene-3-carbonyl]-3-ethyl-3-methyl-2-oxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 58679175
2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 58679317
1-[5-tert-butyl-3-(6,6-dimethyl-5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
CID 58679331
N-[3-[2-aminoethyl(ethyl)amino]-3-oxopropyl]-5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]-N-methylthiophene-3-carboxamide
CID 143241084
1-[5-tert-butyl-3-[2,2-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-oxopiperazine-1-carbonyl]thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea
CID 44817857
2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802
1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(2,3-dichloro-4-methylphenyl)urea
CID 58679438
1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(2-tert-butylphenyl)urea
CID 58679415
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(2-morpholin-4-yl-1,2-dihydropyridin-5-yl)phenyl]urea;ethane;molecular hydrogen
CID 143942994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide (CID 58679218) is 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)C(C)(C)C1=O.
What is the InChIKey of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is QBLVXTHNCBFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42Cl2N6O4S/c1-8-36(9-2)14-13-33-23(39)18-37-15-16-38(30(6,7)27(37)41)26(40)19-17-22(29(3,4)5)43-25(19)35-28(42)34-21-12-10-11-20(31)24(21)32/h10-12,17H,8-9,13-16,18H2,1-7H3,(H,33,39)(H2,34,35,42).
What are the key properties of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide?
2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 653.68 g/mol, XLogP of 5.52, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 58679218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).