N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide

C18H17N3O3S2 — CID 169152210

IUPACN-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccncc1-c1csc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H17N3O3S2/c1-12-6-7-19-10-16(12)13-8-17(25-11-13)18(22)20-14-4-3-5-15(9-14)21-26(2,23)24/h3-11,21H,1-2H3,(H,20,22)
InChIKeyNPSGXJMHMXWLDJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.74
Rot. Bonds5

About N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide

N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 169152210) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID169152210
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccncc1-c1csc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H17N3O3S2/c1-12-6-7-19-10-16(12)13-8-17(25-11-13)18(22)20-14-4-3-5-15(9-14)21-26(2,23)24/h3-11,21H,1-2H3,(H,20,22)
InChIKeyNPSGXJMHMXWLDJ-UHFFFAOYSA-N
XLogP3.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 169152210) is N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1ccncc1-c1csc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is NPSGXJMHMXWLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12-6-7-19-10-16(12)13-8-17(25-11-13)18(22)20-14-4-3-5-15(9-14)21-26(2,23)24/h3-11,21H,1-2H3,(H,20,22).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 169152210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).