4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide

C19H16N2O3S3 — CID 129357101

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc2)co1
InChIInChI=1S/C19H16N2O3S3/c1-13-20-17(11-24-13)14-4-6-16(7-5-14)27(22,23)21-19(15-8-10-25-12-15)18-3-2-9-26-18/h2-12,19,21H,1H3/t19-/m0/s1
InChIKeyMDSGFFSKIMUUFI-IBGZPJMESA-N
MW416.55 g/mol
LogP4.84
Rot. Bonds6

About 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide (PubChem CID 129357101) has the molecular formula C19H16N2O3S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
PubChem CID129357101
Molecular FormulaC19H16N2O3S3
Molecular Weight416.55 g/mol
Exact Mass416.03
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc2)co1
InChIInChI=1S/C19H16N2O3S3/c1-13-20-17(11-24-13)14-4-6-16(7-5-14)27(22,23)21-19(15-8-10-25-12-15)18-3-2-9-26-18/h2-12,19,21H,1H3/t19-/m0/s1
InChIKeyMDSGFFSKIMUUFI-IBGZPJMESA-N
XLogP4.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 129355139
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43704849
N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-4-nitrobenzenesulfonamide
CID 8816308
3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 17499037
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91630721
3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 18279348
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702726
N-(3-chloro-2-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583093
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583135
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide
CID 71857905

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide (CID 129357101) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide?
The InChIKey is MDSGFFSKIMUUFI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16N2O3S3/c1-13-20-17(11-24-13)14-4-6-16(7-5-14)27(22,23)21-19(15-8-10-25-12-15)18-3-2-9-26-18/h2-12,19,21H,1H3/t19-/m0/s1.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide has a molecular weight of 416.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 129357101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).