N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide

C17H20ClN3O3S2 — CID 169144958

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(C3CCNCC3)cs2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-26(23,24)21-15-8-13(18)7-14(9-15)20-17(22)16-6-12(10-25-16)11-2-4-19-5-3-11/h6-11,19,21H,2-5H2,1H3,(H,20,22)
InChIKeyNLGSYHNWFUZUPJ-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.49
Rot. Bonds5

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 169144958) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide
PubChem CID169144958
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(C3CCNCC3)cs2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-26(23,24)21-15-8-13(18)7-14(9-15)20-17(22)16-6-12(10-25-16)11-2-4-19-5-3-11/h6-11,19,21H,2-5H2,1H3,(H,20,22)
InChIKeyNLGSYHNWFUZUPJ-UHFFFAOYSA-N
XLogP3.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide (CID 169144958) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide is CS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(C3CCNCC3)cs2)c1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is NLGSYHNWFUZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-26(23,24)21-15-8-13(18)7-14(9-15)20-17(22)16-6-12(10-25-16)11-2-4-19-5-3-11/h6-11,19,21H,2-5H2,1H3,(H,20,22).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 169144958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).