2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide

C16H21N3O5S — CID 118772025

IUPAC2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cc(C(C)C)no1
InChIInChI=1S/C16H21N3O5S/c1-10(2)14-7-11(24-18-14)9-19(3)16(20)13-8-12(25(17,21)22)5-6-15(13)23-4/h5-8,10H,9H2,1-4H3,(H2,17,21,22)
InChIKeyYUQKKDNPCWPHTL-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.73
Rot. Bonds6

About 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide

2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide (PubChem CID 118772025) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
PubChem CID118772025
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cc(C(C)C)no1
InChIInChI=1S/C16H21N3O5S/c1-10(2)14-7-11(24-18-14)9-19(3)16(20)13-8-12(25(17,21)22)5-6-15(13)23-4/h5-8,10H,9H2,1-4H3,(H2,17,21,22)
InChIKeyYUQKKDNPCWPHTL-UHFFFAOYSA-N
XLogP1.73
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 91833624
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
N-(cyclobutylmethyl)-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 63933053
N-methyl-4-[methyl(methylsulfonyl)amino]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 118767211
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24544465
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide (CID 118772025) is 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cc(C(C)C)no1.
What is the InChIKey of 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide?
The InChIKey is YUQKKDNPCWPHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-10(2)14-7-11(24-18-14)9-19(3)16(20)13-8-12(25(17,21)22)5-6-15(13)23-4/h5-8,10H,9H2,1-4H3,(H2,17,21,22).
What are the key properties of 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide?
2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 118772025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).