N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

C15H17N3O2S — CID 51089154

IUPACN-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H17N3O2S/c19-14-11(5-1-2-7-16-14)17-15(20)13-12(6-10-21-13)18-8-3-4-9-18/h3-4,6,8-11H,1-2,5,7H2,(H,16,19)(H,17,20)
InChIKeyMOBPMHNNZZXSBG-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.94
Rot. Bonds3

About N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 51089154) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID51089154
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H17N3O2S/c19-14-11(5-1-2-7-16-14)17-15(20)13-12(6-10-21-13)18-8-3-4-9-18/h3-4,6,8-11H,1-2,5,7H2,(H,16,19)(H,17,20)
InChIKeyMOBPMHNNZZXSBG-UHFFFAOYSA-N
XLogP1.94
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
CID 51089156
cis-(1R,3S)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320257
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114
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
N-(3,3-dimethylcyclopentyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 114550410
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 33433200
N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 94130735
N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71935632
1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146124206
2-benzyl-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 70718250

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 51089154) is N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(NC1CCCCNC1=O)c1sccc1-n1cccc1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is MOBPMHNNZZXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14-11(5-1-2-7-16-14)17-15(20)13-12(6-10-21-13)18-8-3-4-9-18/h3-4,6,8-11H,1-2,5,7H2,(H,16,19)(H,17,20).
What are the key properties of N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 51089154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).