N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide

C14H18N2O5S3 — CID 40754320

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O5S3/c1-10-14(11(2)21-15-10)24(19,20)16(8-13-4-3-6-22-13)12-5-7-23(17,18)9-12/h3-4,6,12H,5,7-9H2,1-2H3/t12-/m0/s1
InChIKeyXLGURLBYOLXFNS-LBPRGKRZSA-N
MW390.51 g/mol
LogP1.73
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide

N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 40754320) has the molecular formula C14H18N2O5S3 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
PubChem CID40754320
Molecular FormulaC14H18N2O5S3
Molecular Weight390.51 g/mol
Exact Mass390.04
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O5S3/c1-10-14(11(2)21-15-10)24(19,20)16(8-13-4-3-6-22-13)12-5-7-23(17,18)9-12/h3-4,6,12H,5,7-9H2,1-2H3/t12-/m0/s1
InChIKeyXLGURLBYOLXFNS-LBPRGKRZSA-N
XLogP1.73
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

3,5-dimethyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 78802171
2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102750604
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102752582
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 3366355
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxo-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 51941332
(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxo-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 51941331
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 121191681
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
CID 47317810
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7183268
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 110295833
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide (CID 40754320) is N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is XLGURLBYOLXFNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O5S3/c1-10-14(11(2)21-15-10)24(19,20)16(8-13-4-3-6-22-13)12-5-7-23(17,18)9-12/h3-4,6,12H,5,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 40754320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).