5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide

C22H23ClN2O3S2 — CID 47027380

IUPAC5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C(C)Cc2cccs2)cc1C(N)=O
InChIInChI=1S/C22H23ClN2O3S2/c1-15-5-10-20(13-21(15)22(24)26)30(27,28)25(14-17-6-8-18(23)9-7-17)16(2)12-19-4-3-11-29-19/h3-11,13,16H,12,14H2,1-2H3,(H2,24,26)
InChIKeyPXGFTCBKXCSEKZ-UHFFFAOYSA-N
MW463.02 g/mol
LogP4.63
Rot. Bonds8

About 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide

5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide (PubChem CID 47027380) has the molecular formula C22H23ClN2O3S2 and a molecular weight of 463.02 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
PubChem CID47027380
Molecular FormulaC22H23ClN2O3S2
Molecular Weight463.02 g/mol
Exact Mass462.08
IUPAC Name5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C(C)Cc2cccs2)cc1C(N)=O
InChIInChI=1S/C22H23ClN2O3S2/c1-15-5-10-20(13-21(15)22(24)26)30(27,28)25(14-17-6-8-18(23)9-7-17)16(2)12-19-4-3-11-29-19/h3-11,13,16H,12,14H2,1-2H3,(H2,24,26)
InChIKeyPXGFTCBKXCSEKZ-UHFFFAOYSA-N
XLogP4.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 2370945
N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2402599
5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide
CID 34045656
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
N-benzyl-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 43001354
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
5-(dimethylsulfamoyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18170670
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 4830873
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496126

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide (CID 47027380) is 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C(C)Cc2cccs2)cc1C(N)=O.
What is the InChIKey of 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide?
The InChIKey is PXGFTCBKXCSEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S2/c1-15-5-10-20(13-21(15)22(24)26)30(27,28)25(14-17-6-8-18(23)9-7-17)16(2)12-19-4-3-11-29-19/h3-11,13,16H,12,14H2,1-2H3,(H2,24,26).
What are the key properties of 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide?
5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide has a molecular weight of 463.02 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 47027380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).