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

C26H36Cl2N6O3S — CID 58679317

IUPAC2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C26H36Cl2N6O3S/c1-26(2,3)20-15-17(23(38-20)31-25(37)30-19-8-6-7-18(27)22(19)28)24(36)34-13-11-33(12-14-34)16-21(35)29-9-10-32(4)5/h6-8,15H,9-14,16H2,1-5H3,(H,29,35)(H2,30,31,37)
InChIKeySCVIQNSOVMBZSW-UHFFFAOYSA-N
MW583.59 g/mol
LogP4.43
Rot. Bonds8

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

2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 58679317) has the molecular formula C26H36Cl2N6O3S and a molecular weight of 583.59 g/mol. Its IUPAC name is 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID58679317
Molecular FormulaC26H36Cl2N6O3S
Molecular Weight583.59 g/mol
Exact Mass582.19
IUPAC Name2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C26H36Cl2N6O3S/c1-26(2,3)20-15-17(23(38-20)31-25(37)30-19-8-6-7-18(27)22(19)28)24(36)34-13-11-33(12-14-34)16-21(35)29-9-10-32(4)5/h6-8,15H,9-14,16H2,1-5H3,(H,29,35)(H2,30,31,37)
InChIKeySCVIQNSOVMBZSW-UHFFFAOYSA-N
XLogP4.43
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.59
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)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-[2-(diethylamino)ethyl]acetamide
CID 58679218
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
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]-3,3-dimethyl-2-oxopiperazin-1-yl]-N-methoxyacetamide
CID 58679226
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
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-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(2,3-dichloro-4-methylphenyl)urea
CID 58679438
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
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(2-tert-butylphenyl)urea
CID 58679415
2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 22196687
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 58679317) is 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is SCVIQNSOVMBZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36Cl2N6O3S/c1-26(2,3)20-15-17(23(38-20)31-25(37)30-19-8-6-7-18(27)22(19)28)24(36)34-13-11-33(12-14-34)16-21(35)29-9-10-32(4)5/h6-8,15H,9-14,16H2,1-5H3,(H,29,35)(H2,30,31,37).
What are the key properties of 2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[4-[5-tert-butyl-2-[(2,3-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 583.59 g/mol, XLogP of 4.43, 8 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]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 58679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).