N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C17H21N3O3S2 — CID 134037324

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H21N3O3S2/c1-19(12-7-14-6-2-3-9-18-14)17(21)16-15(8-13-24-16)25(22,23)20-10-4-5-11-20/h2-3,6,8-9,13H,4-5,7,10-12H2,1H3
InChIKeyQCGQBBHGQKQTHM-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.24
Rot. Bonds6

About N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 134037324) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID134037324
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H21N3O3S2/c1-19(12-7-14-6-2-3-9-18-14)17(21)16-15(8-13-24-16)25(22,23)20-10-4-5-11-20/h2-3,6,8-9,13H,4-5,7,10-12H2,1H3
InChIKeyQCGQBBHGQKQTHM-UHFFFAOYSA-N
XLogP2.24
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
CID 78795855
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119068920
N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55637487
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32622153
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338589
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 134041709
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525
N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55549165
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 39897883
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 43051837
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 134037324) is N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CN(CCc1ccccn1)C(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is QCGQBBHGQKQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-19(12-7-14-6-2-3-9-18-14)17(21)16-15(8-13-24-16)25(22,23)20-10-4-5-11-20/h2-3,6,8-9,13H,4-5,7,10-12H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 134037324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).