5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide

C17H22N2O3S — CID 20550956

IUPAC5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide
SMILESCOc1ccc(CC(C)NCC(O)c2cc(C(N)=O)cs2)cc1
InChIInChI=1S/C17H22N2O3S/c1-11(7-12-3-5-14(22-2)6-4-12)19-9-15(20)16-8-13(10-23-16)17(18)21/h3-6,8,10-11,15,19-20H,7,9H2,1-2H3,(H2,18,21)
InChIKeyCNSNRLKKKDVAPH-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.11
Rot. Bonds8

About 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide

5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide (PubChem CID 20550956) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide
PubChem CID20550956
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide
SMILESCOc1ccc(CC(C)NCC(O)c2cc(C(N)=O)cs2)cc1
InChIInChI=1S/C17H22N2O3S/c1-11(7-12-3-5-14(22-2)6-4-12)19-9-15(20)16-8-13(10-23-16)17(18)21/h3-6,8,10-11,15,19-20H,7,9H2,1-2H3,(H2,18,21)
InChIKeyCNSNRLKKKDVAPH-UHFFFAOYSA-N
XLogP2.11
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one
CID 141230436
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol
CID 123192488
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
methyl 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 14076224
2-[1-(4-methoxyphenyl)propan-2-ylamino]oxyacetamide
CID 112672774
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
(E)-but-2-enedioic acid;bis(N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide)
CID 66509068
2-amino-4-[1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenol;N-[2-hydroxy-5-[1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
CID 159413933

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide (CID 20550956) is 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide is COc1ccc(CC(C)NCC(O)c2cc(C(N)=O)cs2)cc1.
What is the InChIKey of 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide?
The InChIKey is CNSNRLKKKDVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11(7-12-3-5-14(22-2)6-4-12)19-9-15(20)16-8-13(10-23-16)17(18)21/h3-6,8,10-11,15,19-20H,7,9H2,1-2H3,(H2,18,21).
What are the key properties of 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide?
5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 20550956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).