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

C20H26N2O2S2 — CID 11153527

IUPACN-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1cc(Cc2ccc(C#N)cc2)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C20H26N2O2S2/c1-14(2)10-18-12-17(11-15-6-8-16(13-21)9-7-15)19(25-18)26(23,24)22-20(3,4)5/h6-9,12,14,22H,10-11H2,1-5H3
InChIKeyPIPNPMPVSVBWGU-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.49
Rot. Bonds6

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

N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 11153527) has the molecular formula C20H26N2O2S2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID11153527
Molecular FormulaC20H26N2O2S2
Molecular Weight390.57 g/mol
Exact Mass390.14
IUPAC NameN-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1cc(Cc2ccc(C#N)cc2)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C20H26N2O2S2/c1-14(2)10-18-12-17(11-15-6-8-16(13-21)9-7-15)19(25-18)26(23,24)22-20(3,4)5/h6-9,12,14,22H,10-11H2,1-5H3
InChIKeyPIPNPMPVSVBWGU-UHFFFAOYSA-N
XLogP4.49
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 134137058
butyl N-[3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
CID 11373911
butyl N-[3-(4-cyanophenyl)-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
CID 11407509
5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide
CID 53467262
5-cyano-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-2-sulfonamide
CID 106268149
5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106268674
N-(tert-Butyl)-5-(3-(trifluoromethyl)phenyl)thiophene-2-sulfonamide
CID 166174686
N-(tert-Butyl)-5-(3-fluorophenyl)thiophene-2-sulfonamide
CID 166174687
N-(tert-Butyl)-5-(4-fluorophenyl)thiophene-2-sulfonamide
CID 166174701
N-(tert-Butyl)-5-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 166174702
Thiophene-3-carbonitrile, 4-(4-methylphenyl)-2-methylsulfonyl-
CID 624075
2-[1,1-Dioxo-2-(4-propan-2-ylphenyl)-6-thiophen-2-ylthiopyran-4-ylidene]propanedinitrile
CID 10430631

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide (CID 11153527) is N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)Cc1cc(Cc2ccc(C#N)cc2)c(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is PIPNPMPVSVBWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S2/c1-14(2)10-18-12-17(11-15-6-8-16(13-21)9-7-15)19(25-18)26(23,24)22-20(3,4)5/h6-9,12,14,22H,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
N-tert-butyl-3-[(4-cyanophenyl)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 390.57 g/mol, XLogP of 4.49, 6 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)methyl]-5-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 11153527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).