N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

C21H27N3O2S — CID 119474628

IUPACN-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C21H27N3O2S/c1-13(2)14-3-5-15(6-4-14)19(25)24-21-18(11-12-27-21)20(26)23-17-9-7-16(22)8-10-17/h3-6,11-13,16-17H,7-10,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKZZQTXJFUOTUFD-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.12
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 119474628) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID119474628
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C21H27N3O2S/c1-13(2)14-3-5-15(6-4-14)19(25)24-21-18(11-12-27-21)20(26)23-17-9-7-16(22)8-10-17/h3-6,11-13,16-17H,7-10,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKZZQTXJFUOTUFD-UHFFFAOYSA-N
XLogP4.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
2-[(4-propan-2-ylbenzoyl)amino]-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 119449720
2-[(4-propan-2-ylbenzoyl)amino]-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 55962173
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 60590871
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60554679
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
CID 52822973
2-[(4-propan-2-ylbenzoyl)amino]-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide;hydrochloride
CID 119510040
N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
CID 143724454
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide
CID 120655851

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (CID 119474628) is N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is KZZQTXJFUOTUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-13(2)14-3-5-15(6-4-14)19(25)24-21-18(11-12-27-21)20(26)23-17-9-7-16(22)8-10-17/h3-6,11-13,16-17H,7-10,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 119474628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).