N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

C21H29N3O4S — CID 30271841

IUPACN-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccccc2)cc1C
InChIInChI=1S/C21H29N3O4S/c1-17-15-19(11-12-20(17)28-4)29(26,27)24(18-9-6-5-7-10-18)16-21(25)22-13-8-14-23(2)3/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,22,25)
InChIKeyOMINMUNUEANYLG-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.27
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30271841) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
PubChem CID30271841
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccccc2)cc1C
InChIInChI=1S/C21H29N3O4S/c1-17-15-19(11-12-20(17)28-4)29(26,27)24(18-9-6-5-7-10-18)16-21(25)22-13-8-14-23(2)3/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,22,25)
InChIKeyOMINMUNUEANYLG-UHFFFAOYSA-N
XLogP2.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.27
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-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271613
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30277462
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265589
N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263600
N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276576
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263518
N-[(4-ethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30273048
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30277070
methyl 3-[[2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 30266507
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30244662
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30273922

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (CID 30271841) is N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccccc2)cc1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is OMINMUNUEANYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-17-15-19(11-12-20(17)28-4)29(26,27)24(18-9-6-5-7-10-18)16-21(25)22-13-8-14-23(2)3/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,22,25).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 419.55 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30271841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).