2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide

C22H24N2O4S — CID 53280365

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCc1ccco1
InChIInChI=1S/C22H24N2O4S/c1-29(26,27)24(17-18-9-3-2-4-10-18)21-14-6-5-13-20(21)22(25)23-15-7-11-19-12-8-16-28-19/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3,(H,23,25)
InChIKeyRCSYFFJPTCMSCE-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.61
Rot. Bonds9

About 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide

2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide (PubChem CID 53280365) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
PubChem CID53280365
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCc1ccco1
InChIInChI=1S/C22H24N2O4S/c1-29(26,27)24(17-18-9-3-2-4-10-18)21-14-6-5-13-20(21)22(25)23-15-7-11-19-12-8-16-28-19/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3,(H,23,25)
InChIKeyRCSYFFJPTCMSCE-UHFFFAOYSA-N
XLogP3.61
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53285782
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
CID 2271284
2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
CID 133185431
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 1361405

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide (CID 53280365) is 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCc1ccco1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
The InChIKey is RCSYFFJPTCMSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-29(26,27)24(17-18-9-3-2-4-10-18)21-14-6-5-13-20(21)22(25)23-15-7-11-19-12-8-16-28-19/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3,(H,23,25).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide?
2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide has a molecular weight of 412.51 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide is sourced from PubChem (CID 53280365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).