N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride

C17H21ClN2O2S — CID 120948558

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccsc2C(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-11-2-4-12(5-3-11)14-6-7-22-16(14)17(21)19-9-13-8-18-10-15(13)20;/h2-7,13,15,18,20H,8-10H2,1H3,(H,19,21);1H
InChIKeyMWOKHPUJVVCNQP-UHFFFAOYSA-N
MW352.89 g/mol
LogP2.46
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120948558) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
PubChem CID120948558
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccsc2C(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-11-2-4-12(5-3-11)14-6-7-22-16(14)17(21)19-9-13-8-18-10-15(13)20;/h2-7,13,15,18,20H,8-10H2,1H3,(H,19,21);1H
InChIKeyMWOKHPUJVVCNQP-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 120944157
3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
CID 120945311
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388170
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 98623177
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 120947292
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide;hydrochloride
CID 120946680
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
CID 120948004

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride (CID 120948558) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride is Cc1ccc(-c2ccsc2C(=O)NCC2CNCC2O)cc1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is MWOKHPUJVVCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c1-11-2-4-12(5-3-11)14-6-7-22-16(14)17(21)19-9-13-8-18-10-15(13)20;/h2-7,13,15,18,20H,8-10H2,1H3,(H,19,21);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120948558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).