N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide

C21H22N2O2S — CID 1169748

IUPACN-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc(=O)[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H22N2O2S/c24-20-13-15(17-9-4-5-10-18(17)22-20)14-23(16-7-2-1-3-8-16)21(25)19-11-6-12-26-19/h4-6,9-13,16H,1-3,7-8,14H2,(H,22,24)
InChIKeyHWHRMSKTRNDXLC-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.56
Rot. Bonds4

About N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide

N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 1169748) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID1169748
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1cc(=O)[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H22N2O2S/c24-20-13-15(17-9-4-5-10-18(17)22-20)14-23(16-7-2-1-3-8-16)21(25)19-11-6-12-26-19/h4-6,9-13,16H,1-3,7-8,14H2,(H,22,24)
InChIKeyHWHRMSKTRNDXLC-UHFFFAOYSA-N
XLogP4.56
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide
CID 39335113
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
ethyl 2-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196655
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4893298
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylthiophene-2-carboxamide
CID 42762783
N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide
CID 165341857
N-[3-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 42817045
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 7555926
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789590
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341
N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427077

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide (CID 1169748) is N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1cc(=O)[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is HWHRMSKTRNDXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-20-13-15(17-9-4-5-10-18(17)22-20)14-23(16-7-2-1-3-8-16)21(25)19-11-6-12-26-19/h4-6,9-13,16H,1-3,7-8,14H2,(H,22,24).
What are the key properties of N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide?
N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1169748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).