N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide

C14H18ClN3O5S — CID 51721755

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClN3O5S/c1-23-12-3-2-9(15)6-11(12)18-13(19)7-16-14(20)17-10-4-5-24(21,22)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1
InChIKeyABVHMVJAIVOYMH-JTQLQIEISA-N
MW375.83 g/mol
LogP0.77
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide (PubChem CID 51721755) has the molecular formula C14H18ClN3O5S and a molecular weight of 375.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
PubChem CID51721755
Molecular FormulaC14H18ClN3O5S
Molecular Weight375.83 g/mol
Exact Mass375.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClN3O5S/c1-23-12-3-2-9(15)6-11(12)18-13(19)7-16-14(20)17-10-4-5-24(21,22)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1
InChIKeyABVHMVJAIVOYMH-JTQLQIEISA-N
XLogP0.77
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
CID 9222232
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2549104
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-ethylazanium
CID 2549100
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9043887
1-N-(5-chloro-2-methoxyphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138227
1-[(4-chloro-2-methoxyphenyl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95334613
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,1-dicarboxamide
CID 108977981
1-(5-chloro-2-propoxyphenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 94813762
1-(5-chloro-2-methoxyphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47031961
1-(5-bromo-2-methoxyphenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 60545846
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165063
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735649

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide (CID 51721755) is N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CNC(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
The InChIKey is ABVHMVJAIVOYMH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18ClN3O5S/c1-23-12-3-2-9(15)6-11(12)18-13(19)7-16-14(20)17-10-4-5-24(21,22)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide has a molecular weight of 375.83 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide is sourced from PubChem (CID 51721755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).