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

C17H19N3O3S — CID 120946017

IUPACN-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O3S/c21-14-10-18-8-12(14)9-19-16(22)11-3-5-13(6-4-11)20-17(23)15-2-1-7-24-15/h1-7,12,14,18,21H,8-10H2,(H,19,22)(H,20,23)
InChIKeySEPXYVVDUNESCN-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.31
Rot. Bonds5

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

N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 120946017) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID120946017
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O3S/c21-14-10-18-8-12(14)9-19-16(22)11-3-5-13(6-4-11)20-17(23)15-2-1-7-24-15/h1-7,12,14,18,21H,8-10H2,(H,19,22)(H,20,23)
InChIKeySEPXYVVDUNESCN-UHFFFAOYSA-N
XLogP1.31
TPSA90.46 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 ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120944367
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 120944233
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31400597
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 120946017) is N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCC1CNCC1O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SEPXYVVDUNESCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-14-10-18-8-12(14)9-19-16(22)11-3-5-13(6-4-11)20-17(23)15-2-1-7-24-15/h1-7,12,14,18,21H,8-10H2,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 120946017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).