5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

C17H19N3O3S — CID 121499472

IUPAC5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NCC3(O)CCNC3)cc2)s1
InChIInChI=1S/C17H19N3O3S/c18-15(21)14-6-5-13(24-14)11-1-3-12(4-2-11)16(22)20-10-17(23)7-8-19-9-17/h1-6,19,23H,7-10H2,(H2,18,21)(H,20,22)
InChIKeyGUHGIFSSQZOAFJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP0.97
Rot. Bonds5

About 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 121499472) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID121499472
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NCC3(O)CCNC3)cc2)s1
InChIInChI=1S/C17H19N3O3S/c18-15(21)14-6-5-13(24-14)11-1-3-12(4-2-11)16(22)20-10-17(23)7-8-19-9-17/h1-6,19,23H,7-10H2,(H2,18,21)(H,20,22)
InChIKeyGUHGIFSSQZOAFJ-UHFFFAOYSA-N
XLogP0.97
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 154905723
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
CID 99942311
4-(4,6-dimethoxypyrimidin-2-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide;formic acid
CID 154905103
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 126447612
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 118765598

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 121499472) is 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is NC(=O)c1ccc(-c2ccc(C(=O)NCC3(O)CCNC3)cc2)s1.
What is the InChIKey of 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is GUHGIFSSQZOAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-15(21)14-6-5-13(24-14)11-1-3-12(4-2-11)16(22)20-10-17(23)7-8-19-9-17/h1-6,19,23H,7-10H2,(H2,18,21)(H,20,22).
What are the key properties of 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 121499472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).