N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H18N2O4S — CID 127424138

IUPACN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)Nc3ccc4nc(C5CC5)oc4c3)ccc2O1
InChIInChI=1S/C19H18N2O4S/c1-11-8-13-9-15(5-7-17(13)24-11)26(22,23)21-14-4-6-16-18(10-14)25-19(20-16)12-2-3-12/h4-7,9-12,21H,2-3,8H2,1H3
InChIKeyXXKDYMNIXQHRHQ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.83
Rot. Bonds4

About N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 127424138) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID127424138
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)Nc3ccc4nc(C5CC5)oc4c3)ccc2O1
InChIInChI=1S/C19H18N2O4S/c1-11-8-13-9-15(5-7-17(13)24-11)26(22,23)21-14-4-6-16-18(10-14)25-19(20-16)12-2-3-12/h4-7,9-12,21H,2-3,8H2,1H3
InChIKeyXXKDYMNIXQHRHQ-UHFFFAOYSA-N
XLogP3.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375430
N-[3,5-bis(hydroxymethyl)phenyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126823942
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97220391
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
N-(2-amino-2-cyclopropylethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120582443
(2S)-N-(6-tert-butylpyridazin-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 99793673
2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119973166
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
N-(4-cyano-6-methyl-2-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126839623
N-[1-(benzenesulfonyl)propan-2-yl]-2-cyclopropyl-1,3-benzoxazol-6-amine
CID 126794852
N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 75430990
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119967986

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 127424138) is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1Cc2cc(S(=O)(=O)Nc3ccc4nc(C5CC5)oc4c3)ccc2O1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is XXKDYMNIXQHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11-8-13-9-15(5-7-17(13)24-11)26(22,23)21-14-4-6-16-18(10-14)25-19(20-16)12-2-3-12/h4-7,9-12,21H,2-3,8H2,1H3.
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 127424138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).