N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

C20H22ClN3O4S — CID 55637009

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)c1nc2cc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)ccc2o1
InChIInChI=1S/C20H22ClN3O4S/c1-20(2,3)19-24-16-12-14(7-8-17(16)28-19)23-18(25)9-10-22-29(26,27)15-6-4-5-13(21)11-15/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,25)
InChIKeyRQJHMOLMLWFQAK-UHFFFAOYSA-N
MW435.93 g/mol
LogP4.09
Rot. Bonds6

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (PubChem CID 55637009) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
PubChem CID55637009
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)c1nc2cc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)ccc2o1
InChIInChI=1S/C20H22ClN3O4S/c1-20(2,3)19-24-16-12-14(7-8-17(16)28-19)23-18(25)9-10-22-29(26,27)15-6-4-5-13(21)11-15/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,25)
InChIKeyRQJHMOLMLWFQAK-UHFFFAOYSA-N
XLogP4.09
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46424556
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 34304049
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55975541
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
1-[2-(benzenesulfonamido)ethyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 146125475
N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 126458383
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 24576018
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide (CID 55637009) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide is CC(C)(C)c1nc2cc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)ccc2o1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is RQJHMOLMLWFQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-20(2,3)19-24-16-12-14(7-8-17(16)28-19)23-18(25)9-10-22-29(26,27)15-6-4-5-13(21)11-15/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 435.93 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55637009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).