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

C18H18N2O3S2 — CID 67526376

IUPAC5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N[C@H]3[C@H](C)[C@@H]3c3ccccc3)s2)no1
InChIInChI=1S/C18H18N2O3S2/c1-11-10-14(19-23-11)15-8-9-16(24-15)25(21,22)20-18-12(2)17(18)13-6-4-3-5-7-13/h3-10,12,17-18,20H,1-2H3/t12-,17-,18+/m1/s1
InChIKeyPGZREFGNACPEFY-PJSAGSTRSA-N
MW374.49 g/mol
LogP3.79
Rot. Bonds5

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

5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 67526376) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
PubChem CID67526376
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N[C@H]3[C@H](C)[C@@H]3c3ccccc3)s2)no1
InChIInChI=1S/C18H18N2O3S2/c1-11-10-14(19-23-11)15-8-9-16(24-15)25(21,22)20-18-12(2)17(18)13-6-4-3-5-7-13/h3-10,12,17-18,20H,1-2H3/t12-,17-,18+/m1/s1
InChIKeyPGZREFGNACPEFY-PJSAGSTRSA-N
XLogP3.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.79
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,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide (CID 67526376) is 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)N[C@H]3[C@H](C)[C@@H]3c3ccccc3)s2)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is PGZREFGNACPEFY-PJSAGSTRSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-11-10-14(19-23-11)15-8-9-16(24-15)25(21,22)20-18-12(2)17(18)13-6-4-3-5-7-13/h3-10,12,17-18,20H,1-2H3/t12-,17-,18+/m1/s1.
What are the key properties of 5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide?
5-(5-methyl-1,2-oxazol-3-yl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 3.79, 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,3R)-2-methyl-3-phenylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67526376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).