N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide

C18H22N2O2S — CID 97349470

IUPACN-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cccs1
InChIInChI=1S/C18H22N2O2S/c21-13-16-7-3-9-20(16)12-15-6-2-1-5-14(15)11-19-18(22)17-8-4-10-23-17/h1-2,4-6,8,10,16,21H,3,7,9,11-13H2,(H,19,22)/t16-/m0/s1
InChIKeyGDUMBYHZVLEANQ-INIZCTEOSA-N
MW330.45 g/mol
LogP2.63
Rot. Bonds6

About N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide

N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 97349470) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID97349470
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cccs1
InChIInChI=1S/C18H22N2O2S/c21-13-16-7-3-9-20(16)12-15-6-2-1-5-14(15)11-19-18(22)17-8-4-10-23-17/h1-2,4-6,8,10,16,21H,3,7,9,11-13H2,(H,19,22)/t16-/m0/s1
InChIKeyGDUMBYHZVLEANQ-INIZCTEOSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
CID 75501739
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 102562849
(E)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylbut-2-enamide
CID 132970854
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 75453940
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
(3S)-N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 129445770
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399
2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 75453143
N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 97349516
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide (CID 97349470) is N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1cccs1.
What is the InChIKey of N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is GDUMBYHZVLEANQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-13-16-7-3-9-20(16)12-15-6-2-1-5-14(15)11-19-18(22)17-8-4-10-23-17/h1-2,4-6,8,10,16,21H,3,7,9,11-13H2,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97349470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).