N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide

C23H29ClN2O2S — CID 132712306

IUPACN-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O2S/c1-4-17(2)25-23(28)18(3)26(15-14-19-8-6-5-7-9-19)22(27)16-29-21-12-10-20(24)11-13-21/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyOKKMKLPZIPZFJN-UHFFFAOYSA-N
MW433.02 g/mol
LogP4.81
Rot. Bonds10

About N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide

N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132712306) has the molecular formula C23H29ClN2O2S and a molecular weight of 433.02 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132712306
Molecular FormulaC23H29ClN2O2S
Molecular Weight433.02 g/mol
Exact Mass432.16
IUPAC NameN-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O2S/c1-4-17(2)25-23(28)18(3)26(15-14-19-8-6-5-7-9-19)22(27)16-29-21-12-10-20(24)11-13-21/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyOKKMKLPZIPZFJN-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.02
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721086
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
CID 100558998
2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 132658025
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625126
(2S)-2-[benzyl-[3-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100516300
N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 100636510
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705652
N-benzyl-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-chlorophenyl)sulfanylbutanamide
CID 100522913
N-butan-2-yl-2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132945682
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 100640144
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
CID 100559319

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide (CID 132712306) is N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide is CCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is OKKMKLPZIPZFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2S/c1-4-17(2)25-23(28)18(3)26(15-14-19-8-6-5-7-9-19)22(27)16-29-21-12-10-20(24)11-13-21/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide?
N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 433.02 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132712306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).