N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide

C26H31N3O4S — CID 132677298

IUPACN-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H31N3O4S/c1-5-24(26(31)27-3)29(17-22-13-7-6-10-19(22)2)25(30)18-28(4)34(32,33)23-15-14-20-11-8-9-12-21(20)16-23/h6-16,24H,5,17-18H2,1-4H3,(H,27,31)
InChIKeyVGWFWBLMXAKFIH-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.32
Rot. Bonds9

About N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide

N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide (PubChem CID 132677298) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide
PubChem CID132677298
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H31N3O4S/c1-5-24(26(31)27-3)29(17-22-13-7-6-10-19(22)2)25(30)18-28(4)34(32,33)23-15-14-20-11-8-9-12-21(20)16-23/h6-16,24H,5,17-18H2,1-4H3,(H,27,31)
InChIKeyVGWFWBLMXAKFIH-UHFFFAOYSA-N
XLogP3.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylbutanamide
CID 132679337
2-[(2-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylbutanamide
CID 132684660
(2R)-2-[benzyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100651451
(2S)-N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100681611
(2R)-N-[(2S)-butan-2-yl]-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100685853
(2S)-N-[(2S)-butan-2-yl]-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 125105967
(2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
CID 100632065
2-[(2,4-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132745215
(2S)-2-[(4-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylbutanamide
CID 100624047
N-butyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132732076
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132678977
2-[benzyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
CID 132675367

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide (CID 132677298) is N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide is CCC(C(=O)NC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The InChIKey is VGWFWBLMXAKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-5-24(26(31)27-3)29(17-22-13-7-6-10-19(22)2)25(30)18-28(4)34(32,33)23-15-14-20-11-8-9-12-21(20)16-23/h6-16,24H,5,17-18H2,1-4H3,(H,27,31).
What are the key properties of N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide has a molecular weight of 481.62 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132677298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).