2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide

C16H19NO2S2 — CID 30530525

IUPAC2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3cccs3)CC2)c(C)c1
InChIInChI=1S/C16H19NO2S2/c1-12-5-6-14(13(2)10-12)21(18,19)17-11-16(7-8-16)15-4-3-9-20-15/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyADUPDSVSNSRYOZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.38
Rot. Bonds5

About 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide

2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 30530525) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
PubChem CID30530525
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3cccs3)CC2)c(C)c1
InChIInChI=1S/C16H19NO2S2/c1-12-5-6-14(13(2)10-12)21(18,19)17-11-16(7-8-16)15-4-3-9-20-15/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyADUPDSVSNSRYOZ-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530651
2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943321
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,4-dimethylbenzenesulfonamide
CID 42269391
2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 110731431
1-[[(2,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312080
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943344
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 110875704
N-[(1-thiophen-2-ylcyclohexyl)methyl]naphthalene-1-sulfonamide
CID 30943313
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide (CID 30530525) is 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(c3cccs3)CC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is ADUPDSVSNSRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-12-5-6-14(13(2)10-12)21(18,19)17-11-16(7-8-16)15-4-3-9-20-15/h3-6,9-10,17H,7-8,11H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 321.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).