N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride

C18H21Cl2N3O2S — CID 119462948

IUPACN-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H20ClN3O2S.ClH/c19-14-6-5-13(17(23)21-11-12-3-1-7-20-10-12)9-15(14)22-18(24)16-4-2-8-25-16;/h2,4-6,8-9,12,20H,1,3,7,10-11H2,(H,21,23)(H,22,24);1H
InChIKeyBMIMHRQQZYSRJN-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.81
Rot. Bonds5

About N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride

N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119462948) has the molecular formula C18H21Cl2N3O2S and a molecular weight of 414.36 g/mol. Its IUPAC name is N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119462948
Molecular FormulaC18H21Cl2N3O2S
Molecular Weight414.36 g/mol
Exact Mass413.07
IUPAC NameN-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H20ClN3O2S.ClH/c19-14-6-5-13(17(23)21-11-12-3-1-7-20-10-12)9-15(14)22-18(24)16-4-2-8-25-16;/h2,4-6,8-9,12,20H,1,3,7,10-11H2,(H,21,23)(H,22,24);1H
InChIKeyBMIMHRQQZYSRJN-UHFFFAOYSA-N
XLogP3.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
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CID 119447731
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
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CID 119464322
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 26560125
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride (CID 119462948) is N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is BMIMHRQQZYSRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S.ClH/c19-14-6-5-13(17(23)21-11-12-3-1-7-20-10-12)9-15(14)22-18(24)16-4-2-8-25-16;/h2,4-6,8-9,12,20H,1,3,7,10-11H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride?
N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 414.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119462948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).