5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide

C18H18N2O3S2 — CID 53102953

IUPAC5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1
InChIInChI=1S/C18H18N2O3S2/c1-12-4-2-3-5-14(12)10-20-25(21,22)17-9-8-16(24-17)15-11-19-18(23-15)13-6-7-13/h2-5,8-9,11,13,20H,6-7,10H2,1H3
InChIKeyACUYREHBWNNBNU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.07
Rot. Bonds6

About 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide

5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53102953) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53102953
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1
InChIInChI=1S/C18H18N2O3S2/c1-12-4-2-3-5-14(12)10-20-25(21,22)17-9-8-16(24-17)15-11-19-18(23-15)13-6-7-13/h2-5,8-9,11,13,20H,6-7,10H2,1H3
InChIKeyACUYREHBWNNBNU-UHFFFAOYSA-N
XLogP4.07
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (CID 53102953) is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is ACUYREHBWNNBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-12-4-2-3-5-14(12)10-20-25(21,22)17-9-8-16(24-17)15-11-19-18(23-15)13-6-7-13/h2-5,8-9,11,13,20H,6-7,10H2,1H3.
What are the key properties of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53102953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).