N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride

C16H19Cl2N3O2S — CID 120827309

IUPACN-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C16H18ClN3O2S.ClH/c1-10(18-2)9-19-15(21)11-5-6-12(17)13(8-11)20-16(22)14-4-3-7-23-14;/h3-8,10,18H,9H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyZKEJAJWPXCZOBE-UHFFFAOYSA-N
MW388.32 g/mol
LogP3.41
Rot. Bonds6

About N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride

N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120827309) has the molecular formula C16H19Cl2N3O2S and a molecular weight of 388.32 g/mol. Its IUPAC name is N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120827309
Molecular FormulaC16H19Cl2N3O2S
Molecular Weight388.32 g/mol
Exact Mass387.06
IUPAC NameN-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C16H18ClN3O2S.ClH/c1-10(18-2)9-19-15(21)11-5-6-12(17)13(8-11)20-16(22)14-4-3-7-23-14;/h3-8,10,18H,9H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyZKEJAJWPXCZOBE-UHFFFAOYSA-N
XLogP3.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 43005371
4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid
CID 102561133
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55666154
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42907184
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43057563
2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192813
N-[2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 37158645

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (CID 120827309) is N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is CNC(C)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.Cl.
What is the InChIKey of N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ZKEJAJWPXCZOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S.ClH/c1-10(18-2)9-19-15(21)11-5-6-12(17)13(8-11)20-16(22)14-4-3-7-23-14;/h3-8,10,18H,9H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 388.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120827309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).