N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide

C19H21N3O3S — CID 26110881

IUPACN-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H21N3O3S/c23-17(7-2-10-20-19(25)16-6-3-11-26-16)21-15-5-1-4-13(12-15)18(24)22-14-8-9-14/h1,3-6,11-12,14H,2,7-10H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXRORMNDPAKHLFT-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.79
Rot. Bonds8

About N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 26110881) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID26110881
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H21N3O3S/c23-17(7-2-10-20-19(25)16-6-3-11-26-16)21-15-5-1-4-13(12-15)18(24)22-14-8-9-14/h1,3-6,11-12,14H,2,7-10H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXRORMNDPAKHLFT-UHFFFAOYSA-N
XLogP2.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide
CID 55719816
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119621057

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide (CID 26110881) is N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide is O=C(CCCNC(=O)c1cccs1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is XRORMNDPAKHLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(7-2-10-20-19(25)16-6-3-11-26-16)21-15-5-1-4-13(12-15)18(24)22-14-8-9-14/h1,3-6,11-12,14H,2,7-10H2,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 26110881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).