N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide

C26H30N2O4S — CID 41236375

IUPACN-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccccc1O
InChIInChI=1S/C26H30N2O4S/c1-3-32-16-7-15-27-25(30)24(20-13-11-19(2)12-14-20)28(18-21-8-6-17-33-21)26(31)22-9-4-5-10-23(22)29/h4-6,8-14,17,24,29H,3,7,15-16,18H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyOJAZGZWRCCAYJZ-XMMPIXPASA-N
MW466.60 g/mol
LogP4.69
Rot. Bonds11

About N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide

N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 41236375) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID41236375
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccccc1O
InChIInChI=1S/C26H30N2O4S/c1-3-32-16-7-15-27-25(30)24(20-13-11-19(2)12-14-20)28(18-21-8-6-17-33-21)26(31)22-9-4-5-10-23(22)29/h4-6,8-14,17,24,29H,3,7,15-16,18H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyOJAZGZWRCCAYJZ-XMMPIXPASA-N
XLogP4.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide
CID 40786365
4-acetamido-N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)benzamide
CID 3605112
(2R)-2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide
CID 40774336
N-[2-[[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 25316603
N-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1433059
N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211786
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
CID 3202875
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 3202751
4-amino-5-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180607
N-cyclopentyl-2-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202729
N-benzyl-2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3943687
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 98183190

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide (CID 41236375) is N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide is CCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccccc1O.
What is the InChIKey of N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OJAZGZWRCCAYJZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-3-32-16-7-15-27-25(30)24(20-13-11-19(2)12-14-20)28(18-21-8-6-17-33-21)26(31)22-9-4-5-10-23(22)29/h4-6,8-14,17,24,29H,3,7,15-16,18H2,1-2H3,(H,27,30)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 466.60 g/mol, XLogP of 4.69, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 41236375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).