N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide

C23H28N2O4S3 — CID 71622397

IUPACN-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(NS(C)(=O)=O)cc2)s1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H28N2O4S3/c1-18(2)15-25(32(28,29)17-19-7-5-4-6-8-19)16-22-13-14-23(30-22)20-9-11-21(12-10-20)24-31(3,26)27/h4-14,18,24H,15-17H2,1-3H3
InChIKeyOJSRHOUBAZHNFM-UHFFFAOYSA-N
MW492.69 g/mol
LogP4.77
Rot. Bonds10

About N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide

N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide (PubChem CID 71622397) has the molecular formula C23H28N2O4S3 and a molecular weight of 492.69 g/mol. Its IUPAC name is N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
PubChem CID71622397
Molecular FormulaC23H28N2O4S3
Molecular Weight492.69 g/mol
Exact Mass492.12
IUPAC NameN-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(NS(C)(=O)=O)cc2)s1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H28N2O4S3/c1-18(2)15-25(32(28,29)17-19-7-5-4-6-8-19)16-22-13-14-23(30-22)20-9-11-21(12-10-20)24-31(3,26)27/h4-14,18,24H,15-17H2,1-3H3
InChIKeyOJSRHOUBAZHNFM-UHFFFAOYSA-N
XLogP4.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide (CID 71622397) is N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide is CC(C)CN(Cc1ccc(-c2ccc(NS(C)(=O)=O)cc2)s1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide?
The InChIKey is OJSRHOUBAZHNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S3/c1-18(2)15-25(32(28,29)17-19-7-5-4-6-8-19)16-22-13-14-23(30-22)20-9-11-21(12-10-20)24-31(3,26)27/h4-14,18,24H,15-17H2,1-3H3.
What are the key properties of N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide?
N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide has a molecular weight of 492.69 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 71622397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).