methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate

C20H23N5O5S — CID 22856287

IUPACmethyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1nnnn1C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H23N5O5S/c1-24-19(21-22-23-24)13-18(20(26)30-3)25(14-15-7-5-4-6-8-15)31(27,28)17-11-9-16(29-2)10-12-17/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyNGUMTYSJQQBPJF-GOSISDBHSA-N
MW445.50 g/mol
LogP1.19
Rot. Bonds9

About methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate

methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate (PubChem CID 22856287) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate
PubChem CID22856287
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC Namemethyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1nnnn1C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H23N5O5S/c1-24-19(21-22-23-24)13-18(20(26)30-3)25(14-15-7-5-4-6-8-15)31(27,28)17-11-9-16(29-2)10-12-17/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyNGUMTYSJQQBPJF-GOSISDBHSA-N
XLogP1.19
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-[[2-(dimethylamino)acetyl]amino]hexanoate
CID 22856292
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
(2R)-4-amino-2-[[2-[[[(1S)-3-amino-1-carboxy-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]-4-oxobutanoic acid
CID 154653225
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-(dimethylamino)-N-hydroxyhexanamide
CID 10742152
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate?
The IUPAC name of methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate (CID 22856287) is methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate?
The canonical SMILES for methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate is COC(=O)[C@@H](Cc1nnnn1C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate?
The InChIKey is NGUMTYSJQQBPJF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-24-19(21-22-23-24)13-18(20(26)30-3)25(14-15-7-5-4-6-8-15)31(27,28)17-11-9-16(29-2)10-12-17/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate?
methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate has a molecular weight of 445.50 g/mol, XLogP of 1.19, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate is sourced from PubChem (CID 22856287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).