5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide

C19H22N2O3S — CID 126425253

IUPAC5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)s1
InChIInChI=1S/C19H22N2O3S/c1-2-10-20-19(23)17-8-7-16(25-17)13-3-5-14(6-4-13)18(22)21-15-9-11-24-12-15/h3-8,15H,2,9-12H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyDGLVSKDOUHOKAT-OAHLLOKOSA-N
MW358.46 g/mol
LogP3.07
Rot. Bonds6

About 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide

5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide (PubChem CID 126425253) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide
PubChem CID126425253
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)s1
InChIInChI=1S/C19H22N2O3S/c1-2-10-20-19(23)17-8-7-16(25-17)13-3-5-14(6-4-13)18(22)21-15-9-11-24-12-15/h3-8,15H,2,9-12H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyDGLVSKDOUHOKAT-OAHLLOKOSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 175265911
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 126447092

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide (CID 126425253) is 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)s1.
What is the InChIKey of 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide?
The InChIKey is DGLVSKDOUHOKAT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-10-20-19(23)17-8-7-16(25-17)13-3-5-14(6-4-13)18(22)21-15-9-11-24-12-15/h3-8,15H,2,9-12H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1.
What are the key properties of 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide?
5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 126425253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).