2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C24H31N3O8S — CID 30277058

IUPAC2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c(OC)c1OC
InChIInChI=1S/C24H31N3O8S/c1-32-20-10-7-18(22(33-2)23(20)34-3)15-25-21(28)16-27(36(4,30)31)19-8-5-17(6-9-19)24(29)26-11-13-35-14-12-26/h5-10H,11-16H2,1-4H3,(H,25,28)
InChIKeyGAIUCNCBGCEKIZ-UHFFFAOYSA-N
MW521.59 g/mol
LogP1.27
Rot. Bonds10

About 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 30277058) has the molecular formula C24H31N3O8S and a molecular weight of 521.59 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID30277058
Molecular FormulaC24H31N3O8S
Molecular Weight521.59 g/mol
Exact Mass521.18
IUPAC Name2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c(OC)c1OC
InChIInChI=1S/C24H31N3O8S/c1-32-20-10-7-18(22(33-2)23(20)34-3)15-25-21(28)16-27(36(4,30)31)19-8-5-17(6-9-19)24(29)26-11-13-35-14-12-26/h5-10H,11-16H2,1-4H3,(H,25,28)
InChIKeyGAIUCNCBGCEKIZ-UHFFFAOYSA-N
XLogP1.27
TPSA123.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-(5-chloro-2-methoxyphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30264918
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302414
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30226235
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273764
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901047
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273526
N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900424

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 30277058) is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c(OC)c1OC.
What is the InChIKey of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is GAIUCNCBGCEKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O8S/c1-32-20-10-7-18(22(33-2)23(20)34-3)15-25-21(28)16-27(36(4,30)31)19-8-5-17(6-9-19)24(29)26-11-13-35-14-12-26/h5-10H,11-16H2,1-4H3,(H,25,28).
What are the key properties of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 521.59 g/mol, XLogP of 1.27, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30277058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).