propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate

C19H21ClN2O4S — CID 24575025

IUPACpropan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
SMILESCC(=O)Nc1ccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)s1
InChIInChI=1S/C19H21ClN2O4S/c1-11(2)26-18(24)10-15(13-6-4-5-7-14(13)20)22-19(25)16-8-9-17(27-16)21-12(3)23/h4-9,11,15H,10H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyOLGYNOIKPJHPFU-UHFFFAOYSA-N
MW408.91 g/mol
LogP4.17
Rot. Bonds7

About propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate

propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate (PubChem CID 24575025) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
PubChem CID24575025
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Namepropan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
SMILESCC(=O)Nc1ccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)s1
InChIInChI=1S/C19H21ClN2O4S/c1-11(2)26-18(24)10-15(13-6-4-5-7-14(13)20)22-19(25)16-8-9-17(27-16)21-12(3)23/h4-9,11,15H,10H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyOLGYNOIKPJHPFU-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
CID 51256790
propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
CID 51926264
propan-2-yl 3-[(3-acetamido-3-phenylpropanoyl)amino]-3-(2-chlorophenyl)propanoate
CID 24516279
propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 18274407
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CID 43038135
propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate
CID 24516297
propan-2-yl 3-[(5-methylthiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate
CID 51257124
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
propan-2-yl 3-(2-chlorophenyl)-3-[[3-(ethylsulfonylamino)benzoyl]amino]propanoate
CID 24672222
propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
CID 24603772
propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate
CID 24554392
propan-2-yl 3-(2-chlorophenyl)-3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
The IUPAC name of propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate (CID 24575025) is propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
The canonical SMILES for propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate is CC(=O)Nc1ccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)s1.
What is the InChIKey of propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
The InChIKey is OLGYNOIKPJHPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-11(2)26-18(24)10-15(13-6-4-5-7-14(13)20)22-19(25)16-8-9-17(27-16)21-12(3)23/h4-9,11,15H,10H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate has a molecular weight of 408.91 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 24575025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).