N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C14H22N2O3S2 — CID 6502783

IUPACN-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C14H22N2O3S2/c1-4-10(2)15-14(17)12-9-13(11(3)20-12)21(18,19)16-7-5-6-8-16/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyZMAIXAQWMNBBGS-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.37
Rot. Bonds5

About N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6502783) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6502783
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C14H22N2O3S2/c1-4-10(2)15-14(17)12-9-13(11(3)20-12)21(18,19)16-7-5-6-8-16/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyZMAIXAQWMNBBGS-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6502847
N-(3,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502749
N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502748
5-methyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63329080
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6502778
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 115965130
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63610212
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 6502783) is N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CCC(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)s1.
What is the InChIKey of N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is ZMAIXAQWMNBBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-4-10(2)15-14(17)12-9-13(11(3)20-12)21(18,19)16-7-5-6-8-16/h9-10H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6502783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).