N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

C17H20N2O3S2 — CID 20958443

IUPACN-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-4-6-14(7-5-13)12-18-24(21,22)16-9-8-15(23-16)17(20)19-10-2-3-11-19/h4-9,18H,2-3,10-12H2,1H3
InChIKeyWGBAGIHRTJRACW-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 20958443) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID20958443
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-4-6-14(7-5-13)12-18-24(21,22)16-9-8-15(23-16)17(20)19-10-2-3-11-19/h4-9,18H,2-3,10-12H2,1H3
InChIKeyWGBAGIHRTJRACW-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945071
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-sulfonamide
CID 20945650
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 20958429
N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436549
4-methyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641566
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 15995265
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
[5-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53124548

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (CID 20958443) is N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is WGBAGIHRTJRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-4-6-14(7-5-13)12-18-24(21,22)16-9-8-15(23-16)17(20)19-10-2-3-11-19/h4-9,18H,2-3,10-12H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20958443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).