N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide

C20H19ClN2O3S2 — CID 99956135

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H19ClN2O3S2/c1-22(14-15-5-9-17(21)10-6-15)20(24)16-7-11-18(12-8-16)23(2)28(25,26)19-4-3-13-27-19/h3-13H,14H2,1-2H3
InChIKeyBTTGNACAVQCQKR-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.50
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide

N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide (PubChem CID 99956135) has the molecular formula C20H19ClN2O3S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
PubChem CID99956135
Molecular FormulaC20H19ClN2O3S2
Molecular Weight434.97 g/mol
Exact Mass434.05
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H19ClN2O3S2/c1-22(14-15-5-9-17(21)10-6-15)20(24)16-7-11-18(12-8-16)23(2)28(25,26)19-4-3-13-27-19/h3-13H,14H2,1-2H3
InChIKeyBTTGNACAVQCQKR-UHFFFAOYSA-N
XLogP4.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55347513
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
CID 2992743

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide (CID 99956135) is N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The InChIKey is BTTGNACAVQCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S2/c1-22(14-15-5-9-17(21)10-6-15)20(24)16-7-11-18(12-8-16)23(2)28(25,26)19-4-3-13-27-19/h3-13H,14H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide has a molecular weight of 434.97 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide is sourced from PubChem (CID 99956135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).