N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

C17H20N2O4S2 — CID 99930348

IUPACN-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H20N2O4S2/c1-19(11-15-5-3-9-24-15)17(20)13-4-2-6-16(10-13)25(21,22)18-14-7-8-23-12-14/h2-6,9-10,14,18H,7-8,11-12H2,1H3/t14-/m0/s1
InChIKeyFTIJKYPLQULSMM-AWEZNQCLSA-N
MW380.49 g/mol
LogP2.09
Rot. Bonds6

About N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 99930348) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID99930348
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H20N2O4S2/c1-19(11-15-5-3-9-24-15)17(20)13-4-2-6-16(10-13)25(21,22)18-14-7-8-23-12-14/h2-6,9-10,14,18H,7-8,11-12H2,1H3/t14-/m0/s1
InChIKeyFTIJKYPLQULSMM-AWEZNQCLSA-N
XLogP2.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163370
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 97201095
3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 77086446
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222473
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31840744

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (CID 99930348) is N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1.
What is the InChIKey of N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FTIJKYPLQULSMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-19(11-15-5-3-9-24-15)17(20)13-4-2-6-16(10-13)25(21,22)18-14-7-8-23-12-14/h2-6,9-10,14,18H,7-8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 99930348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).