N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide

C13H19NO3S3 — CID 2820416

IUPACN-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCSc1sc(C(=O)NCC2CC2)cc1S(=O)(=O)C(C)C
InChIInChI=1S/C13H19NO3S3/c1-8(2)20(16,17)11-6-10(19-13(11)18-3)12(15)14-7-9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyDCMZANWTKDXAPK-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.79
Rot. Bonds6

About N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide

N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 2820416) has the molecular formula C13H19NO3S3 and a molecular weight of 333.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID2820416
Molecular FormulaC13H19NO3S3
Molecular Weight333.50 g/mol
Exact Mass333.05
IUPAC NameN-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCSc1sc(C(=O)NCC2CC2)cc1S(=O)(=O)C(C)C
InChIInChI=1S/C13H19NO3S3/c1-8(2)20(16,17)11-6-10(19-13(11)18-3)12(15)14-7-9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyDCMZANWTKDXAPK-UHFFFAOYSA-N
XLogP2.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-carboxamide
CID 2891912
N2,N2-dimethyl-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide
CID 2820417
4-[(3-Methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxamide
CID 6486032
Taurosteine
CID 3086612
4-Diethylsulfamoyl-thiophene-2-carboxylic acid cyclohexylamide
CID 655038
N-[1-(cyanomethylamino)-3-(2-methylpropylsulfonyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 60166365
N-[3-(propylthio)propyl]-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5,5-dioxide
CID 3237887
N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4104414
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylthiophene-2-carboxamide
CID 16268822
N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
CID 23548730
N-octylthiophene-2-carboxamide
CID 4219308

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 2820416) is N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide is CSc1sc(C(=O)NCC2CC2)cc1S(=O)(=O)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is DCMZANWTKDXAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S3/c1-8(2)20(16,17)11-6-10(19-13(11)18-3)12(15)14-7-9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2820416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).