N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 99956878

IUPACN,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-6-9-18(10-7-16)15-22(3)21(24)19-11-8-17(2)20(14-19)27(25,26)23-12-4-5-13-23/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyKQWPPJGQVQHAIS-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.36
Rot. Bonds5

About N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 99956878) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID99956878
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-6-9-18(10-7-16)15-22(3)21(24)19-11-8-17(2)20(14-19)27(25,26)23-12-4-5-13-23/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyKQWPPJGQVQHAIS-UHFFFAOYSA-N
XLogP3.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26619396
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 17426865
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 27447023
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 42968641
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9227950
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 17477585
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 99956878) is N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KQWPPJGQVQHAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-6-9-18(10-7-16)15-22(3)21(24)19-11-8-17(2)20(14-19)27(25,26)23-12-4-5-13-23/h6-11,14H,4-5,12-13,15H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 99956878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).