2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide

C24H32ClN3O5S — CID 133237548

IUPAC2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide
SMILESCCOCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C24H32ClN3O5S/c1-4-33-16-8-15-26-24(30)23(20-9-6-5-7-10-20)28(17-19-11-13-21(25)14-12-19)22(29)18-27(2)34(3,31)32/h5-7,9-14,23H,4,8,15-18H2,1-3H3,(H,26,30)
InChIKeyOVXQXDJNVXDCBK-UHFFFAOYSA-N
MW510.06 g/mol
LogP2.84
Rot. Bonds13

About 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide

2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide (PubChem CID 133237548) has the molecular formula C24H32ClN3O5S and a molecular weight of 510.06 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide
PubChem CID133237548
Molecular FormulaC24H32ClN3O5S
Molecular Weight510.06 g/mol
Exact Mass509.18
IUPAC Name2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide
SMILESCCOCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C24H32ClN3O5S/c1-4-33-16-8-15-26-24(30)23(20-9-6-5-7-10-20)28(17-19-11-13-21(25)14-12-19)22(29)18-27(2)34(3,31)32/h5-7,9-14,23H,4,8,15-18H2,1-3H3,(H,26,30)
InChIKeyOVXQXDJNVXDCBK-UHFFFAOYSA-N
XLogP2.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.06
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237530
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237549
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-(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-[(4-chlorophenyl)methyl]-N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133237421
N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238630
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133237587
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide (CID 133237548) is 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide is CCOCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide?
The InChIKey is OVXQXDJNVXDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O5S/c1-4-33-16-8-15-26-24(30)23(20-9-6-5-7-10-20)28(17-19-11-13-21(25)14-12-19)22(29)18-27(2)34(3,31)32/h5-7,9-14,23H,4,8,15-18H2,1-3H3,(H,26,30).
What are the key properties of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide?
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide has a molecular weight of 510.06 g/mol, XLogP of 2.84, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide is sourced from PubChem (CID 133237548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).