N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C19H21N3O3S — CID 75404259

IUPACN-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H21N3O3S/c23-17(22-15-4-1-2-10-20-18(15)24)14-8-6-13(7-9-14)12-21-19(25)16-5-3-11-26-16/h3,5-9,11,15H,1-2,4,10,12H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVRCWXYPISJXIFA-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.08
Rot. Bonds5

About N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 75404259) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID75404259
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H21N3O3S/c23-17(22-15-4-1-2-10-20-18(15)24)14-8-6-13(7-9-14)12-21-19(25)16-5-3-11-26-16/h3,5-9,11,15H,1-2,4,10,12H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVRCWXYPISJXIFA-UHFFFAOYSA-N
XLogP2.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 120574736
N-[[4-[[2-(aminomethyl)cyclopentyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 119603218
N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 51130706
N-[[4-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55790577
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 75403823
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(3S)-2-oxoazepan-3-yl]benzamide
CID 94136580
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-benzylthiophene-2-carboxamide
CID 574227

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 75404259) is N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NC1CCCCNC1=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is VRCWXYPISJXIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(22-15-4-1-2-10-20-18(15)24)14-8-6-13(7-9-14)12-21-19(25)16-5-3-11-26-16/h3,5-9,11,15H,1-2,4,10,12H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75404259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).