3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid

C16H15Cl2NO4S — CID 120533052

IUPAC3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccsc1C(=O)NC(Cc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C16H15Cl2NO4S/c1-23-8-10-2-3-24-14(10)15(20)19-13(16(21)22)6-9-4-11(17)7-12(18)5-9/h2-5,7,13H,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyZTGUIDNKINBPBP-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.63
Rot. Bonds7

About 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid

3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid (PubChem CID 120533052) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
PubChem CID120533052
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccsc1C(=O)NC(Cc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C16H15Cl2NO4S/c1-23-8-10-2-3-24-14(10)15(20)19-13(16(21)22)6-9-4-11(17)7-12(18)5-9/h2-5,7,13H,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyZTGUIDNKINBPBP-UHFFFAOYSA-N
XLogP3.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
3-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
CID 120512449
3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
CID 120520488
(2S)-2-[(3-bromothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62034219
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401
4-methoxy-2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 62479640
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
2-[(3-bromothiophene-2-carbonyl)amino]-4-methoxybutanoic acid
CID 63804280
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 110007408
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549
3-(3,5-dichlorophenyl)-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid
CID 120533063
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid (CID 120533052) is 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid is COCc1ccsc1C(=O)NC(Cc1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
The InChIKey is ZTGUIDNKINBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-23-8-10-2-3-24-14(10)15(20)19-13(16(21)22)6-9-4-11(17)7-12(18)5-9/h2-5,7,13H,6,8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid has a molecular weight of 388.27 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120533052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).