N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C26H33N3O4S — CID 3211236

IUPACN-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C26H33N3O4S/c30-23(17-27-25(31)22-14-8-16-34-22)29(18-21-13-7-15-33-21)24(19-9-3-1-4-10-19)26(32)28-20-11-5-2-6-12-20/h1,3-4,8-10,14,16,20-21,24H,2,5-7,11-13,15,17-18H2,(H,27,31)(H,28,32)
InChIKeyKXNAXSSFWQSRDP-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.68
Rot. Bonds9

About N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211236) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211236
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C26H33N3O4S/c30-23(17-27-25(31)22-14-8-16-34-22)29(18-21-13-7-15-33-21)24(19-9-3-1-4-10-19)26(32)28-20-11-5-2-6-12-20/h1,3-4,8-10,14,16,20-21,24H,2,5-7,11-13,15,17-18H2,(H,27,31)(H,28,32)
InChIKeyKXNAXSSFWQSRDP-UHFFFAOYSA-N
XLogP3.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide 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

N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-5-phenylthiophene-2-carboxamide
CID 10303894
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10281234
Thiophene-2-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10895470
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
N-(Tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191116
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopent-3-en-1-yl]-1-benzothiophene-2-carboxamide
CID 10303126
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
(S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)-5-oxo-2-(thiophene-2-carboxamido)pentanoate
CID 44550726

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211236) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is KXNAXSSFWQSRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c30-23(17-27-25(31)22-14-8-16-34-22)29(18-21-13-7-15-33-21)24(19-9-3-1-4-10-19)26(32)28-20-11-5-2-6-12-20/h1,3-4,8-10,14,16,20-21,24H,2,5-7,11-13,15,17-18H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).