(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide

C27H32N2O4S — CID 26199002

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C27H32N2O4S/c1-18-7-16-25(19(2)17-18)29-34(31,32)24-14-10-22(11-15-24)28-26(30)20(3)33-23-12-8-21(9-13-23)27(4,5)6/h7-17,20,29H,1-6H3,(H,28,30)/t20-/m0/s1
InChIKeyOUMTYNRZSKITFQ-FQEVSTJZSA-N
MW480.63 g/mol
LogP5.81
Rot. Bonds7

About (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 26199002) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID26199002
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C27H32N2O4S/c1-18-7-16-25(19(2)17-18)29-34(31,32)24-14-10-22(11-15-24)28-26(30)20(3)33-23-12-8-21(9-13-23)27(4,5)6/h7-17,20,29H,1-6H3,(H,28,30)/t20-/m0/s1
InChIKeyOUMTYNRZSKITFQ-FQEVSTJZSA-N
XLogP5.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2979779
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964
2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2938093
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516
2-(4-tert-butylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 21367346
2-(4-tert-butylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43904932
2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21173686
(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
CID 92671713
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide (CID 26199002) is (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c(C)c1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is OUMTYNRZSKITFQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-18-7-16-25(19(2)17-18)29-34(31,32)24-14-10-22(11-15-24)28-26(30)20(3)33-23-12-8-21(9-13-23)27(4,5)6/h7-17,20,29H,1-6H3,(H,28,30)/t20-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 480.63 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 26199002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).