3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide

C13H22N2O3S2 — CID 75514559

IUPAC3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)CCS(=O)(=O)N(C)C)c(C)s1
InChIInChI=1S/C13H22N2O3S2/c1-9-8-12(11(3)19-9)10(2)14-13(16)6-7-20(17,18)15(4)5/h8,10H,6-7H2,1-5H3,(H,14,16)
InChIKeyWPDWCEPFUYFQQO-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.82
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide

3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide (PubChem CID 75514559) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
PubChem CID75514559
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)CCS(=O)(=O)N(C)C)c(C)s1
InChIInChI=1S/C13H22N2O3S2/c1-9-8-12(11(3)19-9)10(2)14-13(16)6-7-20(17,18)15(4)5/h8,10H,6-7H2,1-5H3,(H,14,16)
InChIKeyWPDWCEPFUYFQQO-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
3-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methyl-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 97067920
N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
CID 99828468
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75439947
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
3-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-4-oxobutanoic acid
CID 64894505
4-[1-(2,5-dimethylthiophen-3-yl)ethylsulfamoyl]butanoic acid
CID 43697794

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide (CID 75514559) is 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide is Cc1cc(C(C)NC(=O)CCS(=O)(=O)N(C)C)c(C)s1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The InChIKey is WPDWCEPFUYFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-9-8-12(11(3)19-9)10(2)14-13(16)6-7-20(17,18)15(4)5/h8,10H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide has a molecular weight of 318.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide is sourced from PubChem (CID 75514559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).