5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide

C17H16N2O3S2 — CID 67525356

IUPAC5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H]3c3ccccc3)s2)no1
InChIInChI=1S/C17H16N2O3S2/c1-11-9-15(18-22-11)16-7-8-17(23-16)24(20,21)19-14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14,19H,10H2,1H3/t13-,14+/m1/s1
InChIKeyQWLOGPWVLKEKSP-KGLIPLIRSA-N
MW360.46 g/mol
LogP3.55
Rot. Bonds5

About 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide

5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 67525356) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide
PubChem CID67525356
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H]3c3ccccc3)s2)no1
InChIInChI=1S/C17H16N2O3S2/c1-11-9-15(18-22-11)16-7-8-17(23-16)24(20,21)19-14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14,19H,10H2,1H3/t13-,14+/m1/s1
InChIKeyQWLOGPWVLKEKSP-KGLIPLIRSA-N
XLogP3.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide (CID 67525356) is 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H]3c3ccccc3)s2)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is QWLOGPWVLKEKSP-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-11-9-15(18-22-11)16-7-8-17(23-16)24(20,21)19-14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14,19H,10H2,1H3/t13-,14+/m1/s1.
What are the key properties of 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide?
5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R)-2-phenylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67525356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).