N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide

C26H29N3O4S — CID 10184271

IUPACN-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide
SMILESCCCCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C26H29N3O4S/c1-3-4-13-23(29-26(31)28-20-10-6-5-7-11-20)25(30)27-21-17-15-19(16-18-21)22-12-8-9-14-24(22)34(2,32)33/h5-12,14-18,23H,3-4,13H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyGEOQWLVEENIXAZ-UHFFFAOYSA-N
MW479.60 g/mol
LogP5.08
Rot. Bonds9

About N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide

N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide (PubChem CID 10184271) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide
PubChem CID10184271
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide
SMILESCCCCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C26H29N3O4S/c1-3-4-13-23(29-26(31)28-20-10-6-5-7-11-20)25(30)27-21-17-15-19(16-18-21)22-12-8-9-14-24(22)34(2,32)33/h5-12,14-18,23H,3-4,13H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyGEOQWLVEENIXAZ-UHFFFAOYSA-N
XLogP5.08
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)phenoxy]-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide
CID 142086544
(2S)-2-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]pentanamide
CID 70081882
(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
CID 91424137
N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide
CID 70673037
(3S)-3-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]heptanamide
CID 142134767
(2R)-N-[(2S)-6-amino-1-anilino-1-oxohexan-2-yl]-2-[[2-[(2S)-2-[[(2R)-6-amino-1-anilino-1-oxohexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide
CID 46936743
(2S)-2-(3-carbamimidoylanilino)-N-[4-(2-methylsulfonylphenyl)phenyl]-3-phenylpropanamide
CID 154082295
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
(2R)-N-(3-methylsulfonyl-4-phenylphenyl)-3-phenyl-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanamide
CID 142662835
(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
CID 7218963
N-[(2S)-6-amino-1-(4-methylanilino)-1-oxohexan-2-yl]-2-phenylbenzamide
CID 91127715
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide?
The IUPAC name of N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide (CID 10184271) is N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide.
What is the SMILES notation for N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide?
The canonical SMILES for N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide is CCCCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide?
The InChIKey is GEOQWLVEENIXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-3-4-13-23(29-26(31)28-20-10-6-5-7-11-20)25(30)27-21-17-15-19(16-18-21)22-12-8-9-14-24(22)34(2,32)33/h5-12,14-18,23H,3-4,13H2,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide?
N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide has a molecular weight of 479.60 g/mol, XLogP of 5.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide is sourced from PubChem (CID 10184271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).