N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide

C23H23N3O3S — CID 55693558

IUPACN-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1cccs1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H23N3O3S/c1-16(25-21(27)12-13-24-23(29)20-11-6-14-30-20)18-9-5-10-19(15-18)26-22(28)17-7-3-2-4-8-17/h2-11,14-16H,12-13H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyFYPPRZFIGNUVEC-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.00
Rot. Bonds8

About N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 55693558) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID55693558
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1cccs1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H23N3O3S/c1-16(25-21(27)12-13-24-23(29)20-11-6-14-30-20)18-9-5-10-19(15-18)26-22(28)17-7-3-2-4-8-17/h2-11,14-16H,12-13H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyFYPPRZFIGNUVEC-UHFFFAOYSA-N
XLogP4.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-[3-[1-(4-bromophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192625
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
benzyl N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]carbamate
CID 55837379
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
N-[4-oxo-4-[[(1R)-1-(3-sulfamoylphenyl)ethyl]amino]butyl]thiophene-2-carboxamide
CID 51907293
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide (CID 55693558) is N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide is CC(NC(=O)CCNC(=O)c1cccs1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is FYPPRZFIGNUVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16(25-21(27)12-13-24-23(29)20-11-6-14-30-20)18-9-5-10-19(15-18)26-22(28)17-7-3-2-4-8-17/h2-11,14-16H,12-13H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 55693558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).