N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide

C15H19N3O5S — CID 51718598

IUPACN-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H19N3O5S/c1-10(19)11-3-2-4-12(7-11)17-14(20)8-16-15(21)18-13-5-6-24(22,23)9-13/h2-4,7,13H,5-6,8-9H2,1H3,(H,17,20)(H2,16,18,21)/t13-/m0/s1
InChIKeyZRYSFHSRCWGBBP-ZDUSSCGKSA-N
MW353.40 g/mol
LogP0.31
Rot. Bonds5

About N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide

N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide (PubChem CID 51718598) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
PubChem CID51718598
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H19N3O5S/c1-10(19)11-3-2-4-12(7-11)17-14(20)8-16-15(21)18-13-5-6-24(22,23)9-13/h2-4,7,13H,5-6,8-9H2,1H3,(H,17,20)(H2,16,18,21)/t13-/m0/s1
InChIKeyZRYSFHSRCWGBBP-ZDUSSCGKSA-N
XLogP0.31
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51720350
N-(3-acetylphenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42655672
2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide
CID 51716988
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 39311712
N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39335172
N-(3-acetylphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110861049
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 39310298
3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-(2-phenylethyl)benzamide
CID 39337107
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42653331
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide (CID 51718598) is N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide is CC(=O)c1cccc(NC(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
The InChIKey is ZRYSFHSRCWGBBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-10(19)11-3-2-4-12(7-11)17-14(20)8-16-15(21)18-13-5-6-24(22,23)9-13/h2-4,7,13H,5-6,8-9H2,1H3,(H,17,20)(H2,16,18,21)/t13-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide has a molecular weight of 353.40 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide is sourced from PubChem (CID 51718598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).