N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide

C17H18N2O2S — CID 51089156

IUPACN-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H18N2O2S/c20-16-14(8-4-5-10-18-16)19-17(21)15-13(9-11-22-15)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,18,20)(H,19,21)
InChIKeyKENVYZQAFZHVCS-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.81
Rot. Bonds3

About N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide

N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide (PubChem CID 51089156) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
PubChem CID51089156
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H18N2O2S/c20-16-14(8-4-5-10-18-16)19-17(21)15-13(9-11-22-15)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,18,20)(H,19,21)
InChIKeyKENVYZQAFZHVCS-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 51089154
N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 94130735
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-benzyl-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 70718250
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869
N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 55812409
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide (CID 51089156) is N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide is O=C(NC1CCCCNC1=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide?
The InChIKey is KENVYZQAFZHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16-14(8-4-5-10-18-16)19-17(21)15-13(9-11-22-15)12-6-2-1-3-7-12/h1-3,6-7,9,11,14H,4-5,8,10H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide?
N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 51089156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).