N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide

C14H20N2O3S2 — CID 83138068

IUPACN-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide
SMILESCN(C(=O)CC1CCSCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S2/c1-16(14(17)10-11-6-8-20-9-7-11)12-2-4-13(5-3-12)21(15,18)19/h2-5,11H,6-10H2,1H3,(H2,15,18,19)
InChIKeyDUCPDKUGRSVTSN-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.83
Rot. Bonds4

About N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide

N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide (PubChem CID 83138068) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide
PubChem CID83138068
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide
SMILESCN(C(=O)CC1CCSCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S2/c1-16(14(17)10-11-6-8-20-9-7-11)12-2-4-13(5-3-12)21(15,18)19/h2-5,11H,6-10H2,1H3,(H2,15,18,19)
InChIKeyDUCPDKUGRSVTSN-UHFFFAOYSA-N
XLogP1.83
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61130763
N-methyl-2-(oxolan-2-yl)-N-(4-sulfamoylphenyl)acetamide
CID 65159263
2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996
2-cyclohexyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 43210198
N-(4-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62970842
N-methyl-N-(4-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 65216023
4-methoxy-N-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 113382234
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
N,2,2-trimethyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 107182878
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(thian-4-yl)acetamide
CID 82707409
3-(furan-2-yl)-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61131132
N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide
CID 107992625

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide (CID 83138068) is N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide is CN(C(=O)CC1CCSCC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide?
The InChIKey is DUCPDKUGRSVTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-16(14(17)10-11-6-8-20-9-7-11)12-2-4-13(5-3-12)21(15,18)19/h2-5,11H,6-10H2,1H3,(H2,15,18,19).
What are the key properties of N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide?
N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide has a molecular weight of 328.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-sulfamoylphenyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83138068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).