N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide

C19H17NO4S2 — CID 56928978

IUPACN-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C19H17NO4S2/c1-26(23,24)20-12-13-4-2-5-14(10-13)17-8-9-18(25-17)19(22)15-6-3-7-16(21)11-15/h2-11,20-21H,12H2,1H3
InChIKeyGLGSYPJMKIQMGW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.40
Rot. Bonds6

About N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide

N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide (PubChem CID 56928978) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
PubChem CID56928978
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC NameN-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C19H17NO4S2/c1-26(23,24)20-12-13-4-2-5-14(10-13)17-8-9-18(25-17)19(22)15-6-3-7-16(21)11-15/h2-11,20-21H,12H2,1H3
InChIKeyGLGSYPJMKIQMGW-UHFFFAOYSA-N
XLogP3.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide (CID 56928978) is N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1.
What is the InChIKey of N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is GLGSYPJMKIQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-26(23,24)20-12-13-4-2-5-14(10-13)17-8-9-18(25-17)19(22)15-6-3-7-16(21)11-15/h2-11,20-21H,12H2,1H3.
What are the key properties of N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide?
N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 387.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 56928978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).