N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide

C25H33N3O2S — CID 23734806

IUPACN-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESNC1CCC(N(Cc2ccc(NC(=O)c3cccs3)cc2)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C25H33N3O2S/c26-20-10-14-22(15-11-20)28(25(30)19-5-2-1-3-6-19)17-18-8-12-21(13-9-18)27-24(29)23-7-4-16-31-23/h4,7-9,12-13,16,19-20,22H,1-3,5-6,10-11,14-15,17,26H2,(H,27,29)
InChIKeyHNUSFCGKMBZJCO-UHFFFAOYSA-N
MW439.63 g/mol
LogP5.18
Rot. Bonds6

About N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide

N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 23734806) has the molecular formula C25H33N3O2S and a molecular weight of 439.63 g/mol. Its IUPAC name is N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
PubChem CID23734806
Molecular FormulaC25H33N3O2S
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC NameN-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESNC1CCC(N(Cc2ccc(NC(=O)c3cccs3)cc2)C(=O)C2CCCCC2)CC1
InChIInChI=1S/C25H33N3O2S/c26-20-10-14-22(15-11-20)28(25(30)19-5-2-1-3-6-19)17-18-8-12-21(13-9-18)27-24(29)23-7-4-16-31-23/h4,7-9,12-13,16,19-20,22H,1-3,5-6,10-11,14-15,17,26H2,(H,27,29)
InChIKeyHNUSFCGKMBZJCO-UHFFFAOYSA-N
XLogP5.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.63
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759063
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
CID 23913041
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 51102607
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9479280
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 119309327
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,5-difluorobenzamide
CID 23823004
N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide (CID 23734806) is N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide is NC1CCC(N(Cc2ccc(NC(=O)c3cccs3)cc2)C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is HNUSFCGKMBZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2S/c26-20-10-14-22(15-11-20)28(25(30)19-5-2-1-3-6-19)17-18-8-12-21(13-9-18)27-24(29)23-7-4-16-31-23/h4,7-9,12-13,16,19-20,22H,1-3,5-6,10-11,14-15,17,26H2,(H,27,29).
What are the key properties of N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 439.63 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23734806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).