N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide

C15H24N2O4S2 — CID 19995025

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(S(C)(=O)=O)c(C)c1OC
InChIInChI=1S/C15H24N2O4S2/c1-5-17-8-6-7-11(17)9-16-14(18)13-12(21-3)10(2)15(22-13)23(4,19)20/h11H,5-9H2,1-4H3,(H,16,18)
InChIKeyHDKBVQULXUQRRZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.68
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide (PubChem CID 19995025) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide
PubChem CID19995025
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(S(C)(=O)=O)c(C)c1OC
InChIInChI=1S/C15H24N2O4S2/c1-5-17-8-6-7-11(17)9-16-14(18)13-12(21-3)10(2)15(22-13)23(4,19)20/h11H,5-9H2,1-4H3,(H,16,18)
InChIKeyHDKBVQULXUQRRZ-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 19008809
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2,4-dimethoxybenzamide
CID 12848761
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
CID 14691952
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide (CID 19995025) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide is CCN1CCCC1CNC(=O)c1sc(S(C)(=O)=O)c(C)c1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide?
The InChIKey is HDKBVQULXUQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-5-17-8-6-7-11(17)9-16-14(18)13-12(21-3)10(2)15(22-13)23(4,19)20/h11H,5-9H2,1-4H3,(H,16,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 19995025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).