2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C19H23N3O4S — CID 119690125

IUPAC2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESNc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c20-17-5-1-15(2-6-17)13-19(23)21-14-16-3-7-18(8-4-16)27(24,25)22-9-11-26-12-10-22/h1-8H,9-14,20H2,(H,21,23)
InChIKeyYRHJAIQDMRPRDK-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.15
Rot. Bonds6

About 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 119690125) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID119690125
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESNc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c20-17-5-1-15(2-6-17)13-19(23)21-14-16-3-7-18(8-4-16)27(24,25)22-9-11-26-12-10-22/h1-8H,9-14,20H2,(H,21,23)
InChIKeyYRHJAIQDMRPRDK-UHFFFAOYSA-N
XLogP1.15
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119690162
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 30505923

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 119690125) is 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is Nc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is YRHJAIQDMRPRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c20-17-5-1-15(2-6-17)13-19(23)21-14-16-3-7-18(8-4-16)27(24,25)22-9-11-26-12-10-22/h1-8H,9-14,20H2,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 119690125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).