N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

C24H31N3O5S — CID 43900504

IUPACN-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCCC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O5S/c1-4-22(19-7-5-18(2)6-8-19)25-23(28)17-27(33(3,30)31)21-11-9-20(10-12-21)24(29)26-13-15-32-16-14-26/h5-12,22H,4,13-17H2,1-3H3,(H,25,28)
InChIKeyAFASZANQNOHQMJ-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.50
Rot. Bonds8

About N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 43900504) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID43900504
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCCC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O5S/c1-4-22(19-7-5-18(2)6-8-19)25-23(28)17-27(33(3,30)31)21-11-9-20(10-12-21)24(29)26-13-15-32-16-14-26/h5-12,22H,4,13-17H2,1-3H3,(H,25,28)
InChIKeyAFASZANQNOHQMJ-UHFFFAOYSA-N
XLogP2.50
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900604
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
N-[1-(4-methylphenoxy)propan-2-yl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901364
N-[1-(4-fluorophenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900424
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[1-(4-ethoxyphenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900404
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901463
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900529
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764303
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 43900504) is N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is CCC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is AFASZANQNOHQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-4-22(19-7-5-18(2)6-8-19)25-23(28)17-27(33(3,30)31)21-11-9-20(10-12-21)24(29)26-13-15-32-16-14-26/h5-12,22H,4,13-17H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 473.60 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 43900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).