5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide

C15H21N3O5S — CID 97436715

IUPAC5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1OC
InChIInChI=1S/C15H21N3O5S/c1-16-14(19)12-7-11(3-4-13(12)23-2)18-15(20)17-8-10-5-6-24(21,22)9-10/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1
InChIKeyWVDGNKWGXJUBRN-JTQLQIEISA-N
MW355.42 g/mol
LogP0.61
Rot. Bonds5

About 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide

5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide (PubChem CID 97436715) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide
PubChem CID97436715
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1OC
InChIInChI=1S/C15H21N3O5S/c1-16-14(19)12-7-11(3-4-13(12)23-2)18-15(20)17-8-10-5-6-24(21,22)9-10/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1
InChIKeyWVDGNKWGXJUBRN-JTQLQIEISA-N
XLogP0.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide 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

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-fluoro-2-methoxybenzamide
CID 94020752
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[3-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]phenyl]urea
CID 102566899
1-(5-chloro-2-methoxyphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47031961
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47220631
1-(3,5-dimethylphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47194881
1-(4-aminophenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 43827844
1-[4-(1-aminoethyl)phenyl]-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 62131297
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methoxybenzamide
CID 78987536
1-[4-(aminomethyl)phenyl]-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 62132159
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 47032195
N-(4-amino-3-methoxyphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 61239465
5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide
CID 110764490

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide (CID 97436715) is 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1OC.
What is the InChIKey of 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide?
The InChIKey is WVDGNKWGXJUBRN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-16-14(19)12-7-11(3-4-13(12)23-2)18-15(20)17-8-10-5-6-24(21,22)9-10/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)/t10-/m0/s1.
What are the key properties of 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide?
5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide has a molecular weight of 355.42 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1,1-dioxothiolan-3-yl]methylcarbamoylamino]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 97436715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).