2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide

C15H18ClN3O4S — CID 110636120

IUPAC2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O4S/c1-10-14(11(2)23-18-10)24(21,22)19(3)9-8-17-15(20)12-6-4-5-7-13(12)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyIGWFVWINHMJZTQ-UHFFFAOYSA-N
MW371.85 g/mol
LogP2.00
Rot. Bonds6

About 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide

2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide (PubChem CID 110636120) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide
PubChem CID110636120
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O4S/c1-10-14(11(2)23-18-10)24(21,22)19(3)9-8-17-15(20)12-6-4-5-7-13(12)16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyIGWFVWINHMJZTQ-UHFFFAOYSA-N
XLogP2.00
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]-4-methylbenzamide
CID 110636092
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 109402464
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
CID 108571226
N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110636148
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 31754465
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
CID 113053783
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522653
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 110335555
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide (CID 110636120) is 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide is Cc1noc(C)c1S(=O)(=O)N(C)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide?
The InChIKey is IGWFVWINHMJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-10-14(11(2)23-18-10)24(21,22)19(3)9-8-17-15(20)12-6-4-5-7-13(12)16/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide?
2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide has a molecular weight of 371.85 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide is sourced from PubChem (CID 110636120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).