2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide

C15H22ClN3O4S — CID 120785640

IUPAC2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H22ClN3O4S/c16-12-2-1-3-13(10-12)24(21,22)19-7-6-18-15(20)14(17)11-4-8-23-9-5-11/h1-3,10-11,14,19H,4-9,17H2,(H,18,20)
InChIKeyFPZWTXZZGLQDFA-UHFFFAOYSA-N
MW375.88 g/mol
LogP0.49
Rot. Bonds7

About 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120785640) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120785640
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H22ClN3O4S/c16-12-2-1-3-13(10-12)24(21,22)19-7-6-18-15(20)14(17)11-4-8-23-9-5-11/h1-3,10-11,14,19H,4-9,17H2,(H,18,20)
InChIKeyFPZWTXZZGLQDFA-UHFFFAOYSA-N
XLogP0.49
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 120787166
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119704315
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642765
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-bromobenzamide
CID 120791326

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide (CID 120785640) is 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is FPZWTXZZGLQDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c16-12-2-1-3-13(10-12)24(21,22)19-7-6-18-15(20)14(17)11-4-8-23-9-5-11/h1-3,10-11,14,19H,4-9,17H2,(H,18,20).
What are the key properties of 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 375.88 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120785640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).