N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C29H41N5O3S — CID 23851007

IUPACN-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2CC(N(CCN3CCOCC3)Cc3ccccc3)CN2C(=O)c2cccs2)CC1
InChIInChI=1S/C29H41N5O3S/c30-23-8-10-24(11-9-23)31-28(35)26-19-25(21-34(26)29(36)27-7-4-18-38-27)33(20-22-5-2-1-3-6-22)13-12-32-14-16-37-17-15-32/h1-7,18,23-26H,8-17,19-21,30H2,(H,31,35)
InChIKeyGLJOPJSXURHAQA-UHFFFAOYSA-N
MW539.75 g/mol
LogP2.55
Rot. Bonds9

About N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 23851007) has the molecular formula C29H41N5O3S and a molecular weight of 539.75 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID23851007
Molecular FormulaC29H41N5O3S
Molecular Weight539.75 g/mol
Exact Mass539.29
IUPAC NameN-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2CC(N(CCN3CCOCC3)Cc3ccccc3)CN2C(=O)c2cccs2)CC1
InChIInChI=1S/C29H41N5O3S/c30-23-8-10-24(11-9-23)31-28(35)26-19-25(21-34(26)29(36)27-7-4-18-38-27)33(20-22-5-2-1-3-6-22)13-12-32-14-16-37-17-15-32/h1-7,18,23-26H,8-17,19-21,30H2,(H,31,35)
InChIKeyGLJOPJSXURHAQA-UHFFFAOYSA-N
XLogP2.55
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.75
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-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

(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23793454
N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23878610
N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23762259
N-(2-aminoethyl)-4-[2-morpholin-4-ylethyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23791721
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23961817
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
CID 23795951
N-(4-aminocyclohexyl)-4-[benzyl(thiophen-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 23793310
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23990374
N-(4-aminocyclohexyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23876008
(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23933625
N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-phenylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23764765
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23989110

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 23851007) is N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is NC1CCC(NC(=O)C2CC(N(CCN3CCOCC3)Cc3ccccc3)CN2C(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is GLJOPJSXURHAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O3S/c30-23-8-10-24(11-9-23)31-28(35)26-19-25(21-34(26)29(36)27-7-4-18-38-27)33(20-22-5-2-1-3-6-22)13-12-32-14-16-37-17-15-32/h1-7,18,23-26H,8-17,19-21,30H2,(H,31,35).
What are the key properties of N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 539.75 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 23851007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).