N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide

C14H15ClN2OS — CID 80643965

IUPACN-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2OS/c1-2-7-17(11-5-3-4-10(16)9-11)14(18)13-12(15)6-8-19-13/h3-6,8-9H,2,7,16H2,1H3
InChIKeyZAENCMURPXTXKY-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.04
Rot. Bonds4

About N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide

N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide (PubChem CID 80643965) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
PubChem CID80643965
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2OS/c1-2-7-17(11-5-3-4-10(16)9-11)14(18)13-12(15)6-8-19-13/h3-6,8-9H,2,7,16H2,1H3
InChIKeyZAENCMURPXTXKY-UHFFFAOYSA-N
XLogP4.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide (CID 80643965) is N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1sccc1Cl)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide?
The InChIKey is ZAENCMURPXTXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-2-7-17(11-5-3-4-10(16)9-11)14(18)13-12(15)6-8-19-13/h3-6,8-9H,2,7,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide?
N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 80643965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).