2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide

C20H20N2O3S2 — CID 86935309

IUPAC2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide
SMILESCc1ccsc1-c1cccc(NC(=O)Cc2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C20H20N2O3S2/c1-14-10-11-26-20(14)16-7-5-8-17(12-16)21-19(23)13-15-6-3-4-9-18(15)22-27(2,24)25/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyJNWSVWZGKHWYCX-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.28
Rot. Bonds6

About 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide

2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide (PubChem CID 86935309) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide
PubChem CID86935309
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide
SMILESCc1ccsc1-c1cccc(NC(=O)Cc2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C20H20N2O3S2/c1-14-10-11-26-20(14)16-7-5-8-17(12-16)21-19(23)13-15-6-3-4-9-18(15)22-27(2,24)25/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyJNWSVWZGKHWYCX-UHFFFAOYSA-N
XLogP4.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
2-[2-(methanesulfonamido)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 75463300
2-(methanesulfonamido)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39584251
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935054
1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71856096
2,2-dimethyl-N-[3-(3-methylthiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 86887682
N-(3-methylphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162083
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
1-methyl-3-[3-(3-methylthiophen-2-yl)phenyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 75375509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide (CID 86935309) is 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide is Cc1ccsc1-c1cccc(NC(=O)Cc2ccccc2NS(C)(=O)=O)c1.
What is the InChIKey of 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide?
The InChIKey is JNWSVWZGKHWYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-14-10-11-26-20(14)16-7-5-8-17(12-16)21-19(23)13-15-6-3-4-9-18(15)22-27(2,24)25/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide?
2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide is sourced from PubChem (CID 86935309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).