CID 177388669

C18H21InN2O4S — CID 177388669

IUPAC—
SMILESCCOC(=O)[C@H](N)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc([In])cc1
InChIInChI=1S/C18H21N2O4S.In/c1-3-24-18(21)16(19)17(14-7-5-4-6-8-14)20-25(22,23)15-11-9-13(2)10-12-15;/h5-12,16-17,20H,3,19H2,1-2H3;/t16-,17-;/m1./s1
InChIKeyIZWHTOHQLFZRKQ-GBNZRNLASA-N
MW476.26 g/mol
LogP0.70
Rot. Bonds7

About CID 177388669

CID 177388669 (PubChem CID 177388669) has the molecular formula C18H21InN2O4S and a molecular weight of 476.26 g/mol.

Molecular Properties

Compound NameCID 177388669
PubChem CID177388669
Molecular FormulaC18H21InN2O4S
Molecular Weight476.26 g/mol
Exact Mass476.03
IUPAC Name—
SMILESCCOC(=O)[C@H](N)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc([In])cc1
InChIInChI=1S/C18H21N2O4S.In/c1-3-24-18(21)16(19)17(14-7-5-4-6-8-14)20-25(22,23)15-11-9-13(2)10-12-15;/h5-12,16-17,20H,3,19H2,1-2H3;/t16-,17-;/m1./s1
InChIKeyIZWHTOHQLFZRKQ-GBNZRNLASA-N
XLogP0.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,3R)-2-amino-3-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 11729901
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
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ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
ethyl 2-[(4-methoxyphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-3-oxobutanoate
CID 71579305
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl (2S,3S)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 59033490
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate
CID 101187677
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
ethyl 2-bromo-3-[(4-methylphenyl)sulfonylamino]-3-(3,4,5-trimethoxyphenyl)propanoate
CID 74954972
ethyl 2-[benzenesulfonamido(phenyl)methyl]but-3-enoate
CID 11279844

Frequently Asked Questions

What is the IUPAC name of CID 177388669?
The IUPAC name of CID 177388669 (CID 177388669) is not available.
What is the SMILES notation for CID 177388669?
The canonical SMILES for CID 177388669 is CCOC(=O)[C@H](N)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc([In])cc1.
What is the InChIKey of CID 177388669?
The InChIKey is IZWHTOHQLFZRKQ-GBNZRNLASA-N. The full InChI is InChI=1S/C18H21N2O4S.In/c1-3-24-18(21)16(19)17(14-7-5-4-6-8-14)20-25(22,23)15-11-9-13(2)10-12-15;/h5-12,16-17,20H,3,19H2,1-2H3;/t16-,17-;/m1./s1.
What are the key properties of CID 177388669?
CID 177388669 has a molecular weight of 476.26 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177388669 is sourced from PubChem (CID 177388669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).