N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide

C17H19N3O3S — CID 46421922

IUPACN-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-2-18-16(22)12-5-3-6-13(11-12)20-15(21)8-9-19-17(23)14-7-4-10-24-14/h3-7,10-11H,2,8-9H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyOUQLDXRZIAGWGD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.26
Rot. Bonds7

About N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 46421922) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID46421922
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-2-18-16(22)12-5-3-6-13(11-12)20-15(21)8-9-19-17(23)14-7-4-10-24-14/h3-7,10-11H,2,8-9H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyOUQLDXRZIAGWGD-UHFFFAOYSA-N
XLogP2.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
CID 17470169
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55693558
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
3-acetamido-N-ethylbenzamide
CID 17230670

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide (CID 46421922) is N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide is CCNC(=O)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is OUQLDXRZIAGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-18-16(22)12-5-3-6-13(11-12)20-15(21)8-9-19-17(23)14-7-4-10-24-14/h3-7,10-11H,2,8-9H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 46421922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).