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

C21H26N2O3S — CID 60587824

IUPACN-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-13(2)14-3-5-15(6-4-14)19(25)23-21-18(11-12-27-21)20(26)22-16-7-9-17(24)10-8-16/h3-6,11-13,16-17,24H,7-10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyJMXCKWZPMMWRRV-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.16
Rot. Bonds5

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

N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 60587824) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID60587824
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-13(2)14-3-5-15(6-4-14)19(25)23-21-18(11-12-27-21)20(26)22-16-7-9-17(24)10-8-16/h3-6,11-13,16-17,24H,7-10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyJMXCKWZPMMWRRV-UHFFFAOYSA-N
XLogP4.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
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
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
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-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60554679
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
N-[3-(4-methylidenepiperidine-1-carbonyl)thiophen-2-yl]-4-propan-2-ylbenzamide
CID 56575769
N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 86820089

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (CID 60587824) is N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is JMXCKWZPMMWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-13(2)14-3-5-15(6-4-14)19(25)23-21-18(11-12-27-21)20(26)22-16-7-9-17(24)10-8-16/h3-6,11-13,16-17,24H,7-10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 60587824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).