2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide

C14H20N6O4S — CID 16762172

IUPAC2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(N)=O)cc1-n1cnnn1
InChIInChI=1S/C14H20N6O4S/c1-9(2)6-11(14(15)21)17-25(22,23)10-4-5-13(24-3)12(7-10)20-8-16-18-19-20/h4-5,7-9,11,17H,6H2,1-3H3,(H2,15,21)
InChIKeyXWYPUYIIXLCFPK-UHFFFAOYSA-N
MW368.42 g/mol
LogP-0.15
Rot. Bonds8

About 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide

2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide (PubChem CID 16762172) has the molecular formula C14H20N6O4S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide.

Molecular Properties

Compound Name2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide
PubChem CID16762172
Molecular FormulaC14H20N6O4S
Molecular Weight368.42 g/mol
Exact Mass368.13
IUPAC Name2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(N)=O)cc1-n1cnnn1
InChIInChI=1S/C14H20N6O4S/c1-9(2)6-11(14(15)21)17-25(22,23)10-4-5-13(24-3)12(7-10)20-8-16-18-19-20/h4-5,7-9,11,17H,6H2,1-3H3,(H2,15,21)
InChIKeyXWYPUYIIXLCFPK-UHFFFAOYSA-N
XLogP-0.15
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
CID 16762018
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 3191963
3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 3212817
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404937
5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
CID 146133028
methyl 2-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404938
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
CID 120535194

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide?
The IUPAC name of 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide (CID 16762172) is 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide.
What is the SMILES notation for 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide?
The canonical SMILES for 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide is COc1ccc(S(=O)(=O)NC(CC(C)C)C(N)=O)cc1-n1cnnn1.
What is the InChIKey of 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide?
The InChIKey is XWYPUYIIXLCFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4S/c1-9(2)6-11(14(15)21)17-25(22,23)10-4-5-13(24-3)12(7-10)20-8-16-18-19-20/h4-5,7-9,11,17H,6H2,1-3H3,(H2,15,21).
What are the key properties of 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide?
2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide has a molecular weight of 368.42 g/mol, XLogP of -0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide is sourced from PubChem (CID 16762172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).