N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide

C22H29N3O6S — CID 100641559

IUPACN-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C22H29N3O6S/c1-30-16-14-23-22(27)17-9-4-5-10-18(17)24-21(26)13-8-15-25(32(3,28)29)19-11-6-7-12-20(19)31-2/h4-7,9-12H,8,13-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyICRQLYRBMBPEJS-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.26
Rot. Bonds12

About N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide

N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide (PubChem CID 100641559) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
PubChem CID100641559
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC NameN-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C22H29N3O6S/c1-30-16-14-23-22(27)17-9-4-5-10-18(17)24-21(26)13-8-15-25(32(3,28)29)19-11-6-7-12-20(19)31-2/h4-7,9-12H,8,13-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyICRQLYRBMBPEJS-UHFFFAOYSA-N
XLogP2.26
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2957888
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 126134629
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 21368313
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609
N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100509528

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide (CID 100641559) is N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide is COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
The InChIKey is ICRQLYRBMBPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-30-16-14-23-22(27)17-9-4-5-10-18(17)24-21(26)13-8-15-25(32(3,28)29)19-11-6-7-12-20(19)31-2/h4-7,9-12H,8,13-16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide has a molecular weight of 463.56 g/mol, XLogP of 2.26, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide is sourced from PubChem (CID 100641559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).