N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide

C16H22N2O2S2 — CID 110416011

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc(C)n(C3CC3)c2C)s1
InChIInChI=1S/C16H22N2O2S2/c1-11-10-14(13(3)18(11)15-5-6-15)8-9-17-22(19,20)16-7-4-12(2)21-16/h4,7,10,15,17H,5-6,8-9H2,1-3H3
InChIKeyVGHAPULNUHJLED-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 110416011) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID110416011
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cc(C)n(C3CC3)c2C)s1
InChIInChI=1S/C16H22N2O2S2/c1-11-10-14(13(3)18(11)15-5-6-15)8-9-17-22(19,20)16-7-4-12(2)21-16/h4,7,10,15,17H,5-6,8-9H2,1-3H3
InChIKeyVGHAPULNUHJLED-UHFFFAOYSA-N
XLogP3.33
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide 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-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 110641726
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110415986
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110415999
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110416008
5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110415650
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 55873109
5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113096502
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide
CID 110641681
5-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722046
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 110416011) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2cc(C)n(C3CC3)c2C)s1.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is VGHAPULNUHJLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-11-10-14(13(3)18(11)15-5-6-15)8-9-17-22(19,20)16-7-4-12(2)21-16/h4,7,10,15,17H,5-6,8-9H2,1-3H3.
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 338.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110416011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).