N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide

C23H30ClN3O4S — CID 133237530

IUPACN-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C23H30ClN3O4S/c1-4-5-15-25-23(29)22(19-9-7-6-8-10-19)27(16-18-11-13-20(24)14-12-18)21(28)17-26(2)32(3,30)31/h6-14,22H,4-5,15-17H2,1-3H3,(H,25,29)
InChIKeyOOADFPWQOFPRBG-UHFFFAOYSA-N
MW480.03 g/mol
LogP3.22
Rot. Bonds11

About N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide

N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide (PubChem CID 133237530) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
PubChem CID133237530
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC NameN-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C23H30ClN3O4S/c1-4-5-15-25-23(29)22(19-9-7-6-8-10-19)27(16-18-11-13-20(24)14-12-18)21(28)17-26(2)32(3,30)31/h6-14,22H,4-5,15-17H2,1-3H3,(H,25,29)
InChIKeyOOADFPWQOFPRBG-UHFFFAOYSA-N
XLogP3.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide
CID 133237548
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237535
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237549
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237544
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133237542
(2S)-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 125046670
2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133236997
N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238630
2-[benzyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-N-butylbutanamide
CID 132945615
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133214480
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237311

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?
The IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide (CID 133237530) is N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?
The canonical SMILES for N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide is CCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?
The InChIKey is OOADFPWQOFPRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-4-5-15-25-23(29)22(19-9-7-6-8-10-19)27(16-18-11-13-20(24)14-12-18)21(28)17-26(2)32(3,30)31/h6-14,22H,4-5,15-17H2,1-3H3,(H,25,29).
What are the key properties of N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide?
N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide has a molecular weight of 480.03 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 133237530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).