4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C17H20N2O4S2 — CID 27261173

IUPAC4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCN(c1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O4S2/c1-19(25(21,22)16-5-3-11-24-16)14-8-6-13(7-9-14)17(20)18-12-15-4-2-10-23-15/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeySCEDENQPFDGDQI-HNNXBMFYSA-N
MW380.49 g/mol
LogP2.48
Rot. Bonds6

About 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 27261173) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID27261173
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCN(c1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O4S2/c1-19(25(21,22)16-5-3-11-24-16)14-8-6-13(7-9-14)17(20)18-12-15-4-2-10-23-15/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeySCEDENQPFDGDQI-HNNXBMFYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 989154
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2988947
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2955389
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 27261173) is 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CN(c1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is SCEDENQPFDGDQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-19(25(21,22)16-5-3-11-24-16)14-8-6-13(7-9-14)17(20)18-12-15-4-2-10-23-15/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 27261173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).