2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide

C16H18ClN3O2S — CID 120829265

IUPAC2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccsc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2S/c1-10(18-2)9-19-14(21)12-7-8-23-16(12)20-15(22)11-5-3-4-6-13(11)17/h3-8,10,18H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJVQYIZKHTFWPSN-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.99
Rot. Bonds6

About 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide

2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide (PubChem CID 120829265) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide
PubChem CID120829265
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccsc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2S/c1-10(18-2)9-19-14(21)12-7-8-23-16(12)20-15(22)11-5-3-4-6-13(11)17/h3-8,10,18H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJVQYIZKHTFWPSN-UHFFFAOYSA-N
XLogP2.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829264
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
CID 2117879
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119703576
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide (CID 120829265) is 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide is CNC(C)CNC(=O)c1ccsc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide?
The InChIKey is JVQYIZKHTFWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-10(18-2)9-19-14(21)12-7-8-23-16(12)20-15(22)11-5-3-4-6-13(11)17/h3-8,10,18H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide?
2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-N-[2-(methylamino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 120829265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).