N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide

C20H25N3O2S — CID 24660504

IUPACN-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C20H25N3O2S/c24-19(11-12-21-20(25)18-10-7-15-26-18)22-16-8-3-4-9-17(16)23-13-5-1-2-6-14-23/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,21,25)(H,22,24)
InChIKeyICIQCJGNRVWOEA-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.89
Rot. Bonds6

About N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 24660504) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID24660504
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C20H25N3O2S/c24-19(11-12-21-20(25)18-10-7-15-26-18)22-16-8-3-4-9-17(16)23-13-5-1-2-6-14-23/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,21,25)(H,22,24)
InChIKeyICIQCJGNRVWOEA-UHFFFAOYSA-N
XLogP3.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 38165800
2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
CID 22831106
N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17438743
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30898769
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
N-[4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51233336

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide (CID 24660504) is N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is ICIQCJGNRVWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(11-12-21-20(25)18-10-7-15-26-18)22-16-8-3-4-9-17(16)23-13-5-1-2-6-14-23/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 24660504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).