(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

C26H24N2O5S — CID 126341390

IUPAC(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-8-11-21(12-9-17)34(31,32)28-23(19-6-4-3-5-7-19)16-25(29)27-20-10-13-22-18(2)14-26(30)33-24(22)15-20/h3-15,23,28H,16H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyKOXSPTRLWYIWQU-HSZRJFAPSA-N
MW476.55 g/mol
LogP4.46
Rot. Bonds7

About (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 126341390) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID126341390
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-8-11-21(12-9-17)34(31,32)28-23(19-6-4-3-5-7-19)16-25(29)27-20-10-13-22-18(2)14-26(30)33-24(22)15-20/h3-15,23,28H,16H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyKOXSPTRLWYIWQU-HSZRJFAPSA-N
XLogP4.46
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(1S)-3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxo-1-phenylpropyl]carbamate
CID 124548823
(3S)-N-(3-bromo-4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126010101
N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
CID 47072840
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 50740235
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
CID 94756587
(3S)-N-[4-(1-bicyclo[2.2.2]octanyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126344002
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
1-(4-methyl-2-oxochromen-7-yl)-3-[4-(methylsulfamoyl)phenyl]thiourea
CID 19680130
(3R)-3-(3-carboxypropanoylamino)-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
CID 102186404
3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 50740454

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 126341390) is (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1.
What is the InChIKey of (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is KOXSPTRLWYIWQU-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-17-8-11-21(12-9-17)34(31,32)28-23(19-6-4-3-5-7-19)16-25(29)27-20-10-13-22-18(2)14-26(30)33-24(22)15-20/h3-15,23,28H,16H2,1-2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 476.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 126341390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).