N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide

C35H34N2O3S — CID 3930265

IUPACN-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H34N2O3S/c38-35(36(27-30-14-6-2-7-15-30)24-22-29-12-4-1-5-13-29)23-25-37(28-31-16-8-3-9-17-31)41(39,40)34-21-20-32-18-10-11-19-33(32)26-34/h1-21,26H,22-25,27-28H2
InChIKeyKFYLNYNCOPGDKO-UHFFFAOYSA-N
MW562.74 g/mol
LogP6.69
Rot. Bonds12

About N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide

N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 3930265) has the molecular formula C35H34N2O3S and a molecular weight of 562.74 g/mol. Its IUPAC name is N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID3930265
Molecular FormulaC35H34N2O3S
Molecular Weight562.74 g/mol
Exact Mass562.23
IUPAC NameN-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H34N2O3S/c38-35(36(27-30-14-6-2-7-15-30)24-22-29-12-4-1-5-13-29)23-25-37(28-31-16-8-3-9-17-31)41(39,40)34-21-20-32-18-10-11-19-33(32)26-34/h1-21,26H,22-25,27-28H2
InChIKeyKFYLNYNCOPGDKO-UHFFFAOYSA-N
XLogP6.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.74
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3317247
N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide
CID 44550989
4-[[(3,4-dichlorophenyl)sulfonyl-(3-phenylpropyl)amino]methyl]benzoic acid
CID 66978824
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
2-methyl-2-[4-[3-[naphthalen-2-ylsulfonyl(pentyl)amino]propyl]phenoxy]propanoic acid
CID 58713380
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]naphthalene-2-sulfonamide
CID 42696393
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide (CID 3930265) is N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide is O=C(CCN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is KFYLNYNCOPGDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O3S/c38-35(36(27-30-14-6-2-7-15-30)24-22-29-12-4-1-5-13-29)23-25-37(28-31-16-8-3-9-17-31)41(39,40)34-21-20-32-18-10-11-19-33(32)26-34/h1-21,26H,22-25,27-28H2.
What are the key properties of N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide?
N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 562.74 g/mol, XLogP of 6.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3930265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).