4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide

C26H30N2O3S — CID 133186861

IUPAC4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
SMILESCc1ccc(C(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O3S/c1-20-15-17-23(18-16-20)26(22-11-5-4-6-12-22)27-25(29)14-9-19-28(32(3,30)31)24-13-8-7-10-21(24)2/h4-8,10-13,15-18,26H,9,14,19H2,1-3H3,(H,27,29)
InChIKeyDKESUZBCXUFBDN-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.76
Rot. Bonds9

About 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide

4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide (PubChem CID 133186861) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
PubChem CID133186861
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
SMILESCc1ccc(C(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O3S/c1-20-15-17-23(18-16-20)26(22-11-5-4-6-12-22)27-25(29)14-9-19-28(32(3,30)31)24-13-8-7-10-21(24)2/h4-8,10-13,15-18,26H,9,14,19H2,1-3H3,(H,27,29)
InChIKeyDKESUZBCXUFBDN-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 93486320
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28579235
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073
4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 125052831
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 21173577
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92677777
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99132556
4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
CID 133202332
4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288521

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
The IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide (CID 133186861) is 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide is Cc1ccc(C(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
The InChIKey is DKESUZBCXUFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-20-15-17-23(18-16-20)26(22-11-5-4-6-12-22)27-25(29)14-9-19-28(32(3,30)31)24-13-8-7-10-21(24)2/h4-8,10-13,15-18,26H,9,14,19H2,1-3H3,(H,27,29).
What are the key properties of 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide has a molecular weight of 450.60 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 133186861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).