4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

C12H15N5O4S — CID 118639402

IUPAC4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnnn2C)c(C)c1S(C)(=O)=O
InChIInChI=1S/C12H15N5O4S/c1-7-8(11(18)13-12-14-15-16-17(12)2)5-6-9(21-3)10(7)22(4,19)20/h5-6H,1-4H3,(H,13,14,16,18)
InChIKeyLCVXKTBSTFYGRW-UHFFFAOYSA-N
MW325.35 g/mol
LogP0.18
Rot. Bonds4

About 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 118639402) has the molecular formula C12H15N5O4S and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID118639402
Molecular FormulaC12H15N5O4S
Molecular Weight325.35 g/mol
Exact Mass325.08
IUPAC Name4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnnn2C)c(C)c1S(C)(=O)=O
InChIInChI=1S/C12H15N5O4S/c1-7-8(11(18)13-12-14-15-16-17(12)2)5-6-9(21-3)10(7)22(4,19)20/h5-6H,1-4H3,(H,13,14,16,18)
InChIKeyLCVXKTBSTFYGRW-UHFFFAOYSA-N
XLogP0.18
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704
2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368096
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 892036
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
CID 925603
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 177043628
2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
CID 168840880
1-methyl-3-(1-methyltetrazol-5-yl)urea
CID 130735572
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (CID 118639402) is 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is COc1ccc(C(=O)Nc2nnnn2C)c(C)c1S(C)(=O)=O.
What is the InChIKey of 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is LCVXKTBSTFYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4S/c1-7-8(11(18)13-12-14-15-16-17(12)2)5-6-9(21-3)10(7)22(4,19)20/h5-6H,1-4H3,(H,13,14,16,18).
What are the key properties of 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 325.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 118639402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).