N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C12H16N2O2S3 — CID 2795582

IUPACN-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)cs1
InChIInChI=1S/C12H16N2O2S3/c1-8-13-9(7-17-8)10-5-6-11(18-10)19(15,16)14-12(2,3)4/h5-7,14H,1-4H3
InChIKeyNPQVUVIALDREMV-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.26
Rot. Bonds3

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

N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 2795582) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID2795582
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC NameN-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)cs1
InChIInChI=1S/C12H16N2O2S3/c1-8-13-9(7-17-8)10-5-6-11(18-10)19(15,16)14-12(2,3)4/h5-7,14H,1-4H3
InChIKeyNPQVUVIALDREMV-UHFFFAOYSA-N
XLogP3.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 2795582) is N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)cs1.
What is the InChIKey of N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is NPQVUVIALDREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-8-13-9(7-17-8)10-5-6-11(18-10)19(15,16)14-12(2,3)4/h5-7,14H,1-4H3.
What are the key properties of N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2795582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).