2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide

C17H26N2O3S — CID 18124406

IUPAC2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O3S/c1-14(8-9-15-6-4-3-5-7-15)19-16(20)12-18-17(2)10-11-23(21,22)13-17/h3-7,14,18H,8-13H2,1-2H3,(H,19,20)
InChIKeySGLMAJUYDQNKPA-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.29
Rot. Bonds7

About 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide

2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 18124406) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID18124406
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O3S/c1-14(8-9-15-6-4-3-5-7-15)19-16(20)12-18-17(2)10-11-23(21,22)13-17/h3-7,14,18H,8-13H2,1-2H3,(H,19,20)
InChIKeySGLMAJUYDQNKPA-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 60720147
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
CID 41411938
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
N-(4-bromophenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 60655415
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18192854
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
N-[[3-(difluoromethyl)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 115526152
N-[(2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424910

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide (CID 18124406) is 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is SGLMAJUYDQNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(8-9-15-6-4-3-5-7-15)19-16(20)12-18-17(2)10-11-23(21,22)13-17/h3-7,14,18H,8-13H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide?
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 338.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 18124406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).