N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C13H20N2O3S2 — CID 6503315

IUPACN-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C13H20N2O3S2/c1-13(2,3)14-12(16)11-8-10(9-19-11)20(17,18)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyBOOXZZAZKZMLDV-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.06
Rot. Bonds3

About N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503315) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503315
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C13H20N2O3S2/c1-13(2,3)14-12(16)11-8-10(9-19-11)20(17,18)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyBOOXZZAZKZMLDV-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 27245285
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288
4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503287
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 171989504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503315) is N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1.
What is the InChIKey of N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is BOOXZZAZKZMLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-13(2,3)14-12(16)11-8-10(9-19-11)20(17,18)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).