N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide

C19H24N2O2S2 — CID 11303415

IUPACN-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1cc(-c2ccc(C#N)cc2)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C19H24N2O2S2/c1-13(2)10-16-11-17(15-8-6-14(12-20)7-9-15)18(24-16)25(22,23)21-19(3,4)5/h6-9,11,13,21H,10H2,1-5H3
InChIKeySOYOKMARGJKEQI-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.56
Rot. Bonds5

About N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide

N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 11303415) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID11303415
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC NameN-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1cc(-c2ccc(C#N)cc2)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C19H24N2O2S2/c1-13(2)10-16-11-17(15-8-6-14(12-20)7-9-15)18(24-16)25(22,23)21-19(3,4)5/h6-9,11,13,21H,10H2,1-5H3
InChIKeySOYOKMARGJKEQI-UHFFFAOYSA-N
XLogP4.56
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide (CID 11303415) is N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)Cc1cc(-c2ccc(C#N)cc2)c(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is SOYOKMARGJKEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-13(2)10-16-11-17(15-8-6-14(12-20)7-9-15)18(24-16)25(22,23)21-19(3,4)5/h6-9,11,13,21H,10H2,1-5H3.
What are the key properties of N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide?
N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 376.55 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-cyanophenyl)-5-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 11303415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).