N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide

C19H22N2O3S2 — CID 50835263

IUPACN-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCc1cc(-c2csc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)on1
InChIInChI=1S/C19H22N2O3S2/c1-4-17-11-18(24-20-17)16-10-19(25-13-16)26(22,23)21(14(2)3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3
InChIKeyBJGMFSMKXRVIJP-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.56
Rot. Bonds7

About N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide

N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 50835263) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID50835263
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCc1cc(-c2csc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)on1
InChIInChI=1S/C19H22N2O3S2/c1-4-17-11-18(24-20-17)16-10-19(25-13-16)26(22,23)21(14(2)3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3
InChIKeyBJGMFSMKXRVIJP-UHFFFAOYSA-N
XLogP4.56
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide (CID 50835263) is N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide is CCc1cc(-c2csc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)on1.
What is the InChIKey of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is BJGMFSMKXRVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-4-17-11-18(24-20-17)16-10-19(25-13-16)26(22,23)21(14(2)3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 50835263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).