N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

C20H21N3O6S4 — CID 2336673

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H21N3O6S4/c24-20(21-13-17-4-1-7-29-17)14-10-15(22-32(25,26)18-5-2-8-30-18)12-16(11-14)23-33(27,28)19-6-3-9-31-19/h2-3,5-6,8-12,17,22-23H,1,4,7,13H2,(H,21,24)/t17-/m0/s1
InChIKeyUGYLAHLAVMTMAC-KRWDZBQOSA-N
MW527.67 g/mol
LogP3.32
Rot. Bonds9

About N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2336673) has the molecular formula C20H21N3O6S4 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2336673
Molecular FormulaC20H21N3O6S4
Molecular Weight527.67 g/mol
Exact Mass527.03
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H21N3O6S4/c24-20(21-13-17-4-1-7-29-17)14-10-15(22-32(25,26)18-5-2-8-30-18)12-16(11-14)23-33(27,28)19-6-3-9-31-19/h2-3,5-6,8-12,17,22-23H,1,4,7,13H2,(H,21,24)/t17-/m0/s1
InChIKeyUGYLAHLAVMTMAC-KRWDZBQOSA-N
XLogP3.32
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 92880194
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18102027
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
N-[[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 42579611
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55349251
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24560165
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (CID 2336673) is N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is O=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is UGYLAHLAVMTMAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O6S4/c24-20(21-13-17-4-1-7-29-17)14-10-15(22-32(25,26)18-5-2-8-30-18)12-16(11-14)23-33(27,28)19-6-3-9-31-19/h2-3,5-6,8-12,17,22-23H,1,4,7,13H2,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 527.67 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2336673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).