N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

C18H19N3O3S — CID 2799721

IUPACN-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cccs1
InChIInChI=1S/C18H19N3O3S/c22-16(21-14-8-3-4-10-19-17(14)23)12-6-1-2-7-13(12)20-18(24)15-9-5-11-25-15/h1-2,5-7,9,11,14H,3-4,8,10H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyFHOCPMCSEZAWHQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.40
Rot. Bonds4

About N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 2799721) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID2799721
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cccs1
InChIInChI=1S/C18H19N3O3S/c22-16(21-14-8-3-4-10-19-17(14)23)12-6-1-2-7-13(12)20-18(24)15-9-5-11-25-15/h1-2,5-7,9,11,14H,3-4,8,10H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyFHOCPMCSEZAWHQ-UHFFFAOYSA-N
XLogP2.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 2799721) is N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cccs1.
What is the InChIKey of N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FHOCPMCSEZAWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-16(21-14-8-3-4-10-19-17(14)23)12-6-1-2-7-13(12)20-18(24)15-9-5-11-25-15/h1-2,5-7,9,11,14H,3-4,8,10H2,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2799721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).