N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C14H20N2O3S — CID 102738082

IUPACN-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(C)C2CO)s1
InChIInChI=1S/C14H20N2O3S/c1-9-5-6-16(11(9)8-17)13(18)7-15-14(19)12-4-3-10(2)20-12/h3-4,9,11,17H,5-8H2,1-2H3,(H,15,19)
InChIKeyULVSTMVIAMFFSZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.02
Rot. Bonds4

About N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 102738082) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID102738082
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(C)C2CO)s1
InChIInChI=1S/C14H20N2O3S/c1-9-5-6-16(11(9)8-17)13(18)7-15-14(19)12-4-3-10(2)20-12/h3-4,9,11,17H,5-8H2,1-2H3,(H,15,19)
InChIKeyULVSTMVIAMFFSZ-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79030355
N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 102737920
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 43403221
5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 61175116
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102780606
(2-oxo-2-piperidin-1-ylethyl) 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 35726305
5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549809
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 102738084
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29260837
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 102738082) is N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCC(C)C2CO)s1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ULVSTMVIAMFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-5-6-16(11(9)8-17)13(18)7-15-14(19)12-4-3-10(2)20-12/h3-4,9,11,17H,5-8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 102738082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).