N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide

C17H21NO3S — CID 111781993

IUPACN-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C17H21NO3S/c1-13-11-22-12-16(13)17(20)18(2)8-15(19)10-21-9-14-6-4-3-5-7-14/h3-7,11-12,15,19H,8-10H2,1-2H3
InChIKeyZTICCDGEIABSSS-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.71
Rot. Bonds7

About N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide

N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide (PubChem CID 111781993) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
PubChem CID111781993
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C17H21NO3S/c1-13-11-22-12-16(13)17(20)18(2)8-15(19)10-21-9-14-6-4-3-5-7-14/h3-7,11-12,15,19H,8-10H2,1-2H3
InChIKeyZTICCDGEIABSSS-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
CID 111595938
2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylbenzamide
CID 111781994
2-(aminomethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119749056
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 111595977
4-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673100
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 111781995
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide (CID 111781993) is N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide is Cc1cscc1C(=O)N(C)CC(O)COCc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide?
The InChIKey is ZTICCDGEIABSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-11-22-12-16(13)17(20)18(2)8-15(19)10-21-9-14-6-4-3-5-7-14/h3-7,11-12,15,19H,8-10H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide?
N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 111781993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).