N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

C18H20N2O2S3 — CID 50835233

IUPACN-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O2S3/c1-12(2)15-11-23-18(20-15)16-9-17(13(3)24-16)25(21,22)19-10-14-7-5-4-6-8-14/h4-9,11-12,19H,10H2,1-3H3
InChIKeyPVKSTSIPQIVTMU-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.78
Rot. Bonds6

About N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 50835233) has the molecular formula C18H20N2O2S3 and a molecular weight of 392.57 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID50835233
Molecular FormulaC18H20N2O2S3
Molecular Weight392.57 g/mol
Exact Mass392.07
IUPAC NameN-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O2S3/c1-12(2)15-11-23-18(20-15)16-9-17(13(3)24-16)25(21,22)19-10-14-7-5-4-6-8-14/h4-9,11-12,19H,10H2,1-3H3
InChIKeyPVKSTSIPQIVTMU-UHFFFAOYSA-N
XLogP4.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839010
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805
2-methyl-N-[(2-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835609
N-cyclohexyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835214
2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
CID 53139174
2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 46392947
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 50835080
N-[(4-fluorophenyl)methyl]-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821963
2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
CID 50835167
N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846960
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
CID 53039227

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 50835233) is N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is PVKSTSIPQIVTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S3/c1-12(2)15-11-23-18(20-15)16-9-17(13(3)24-16)25(21,22)19-10-14-7-5-4-6-8-14/h4-9,11-12,19H,10H2,1-3H3.
What are the key properties of N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).