N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide

C14H20N2O4S — CID 43715791

IUPACN-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C14H20N2O4S/c1-10(17)15-12-3-4-14(20-2)13(9-12)16-11-5-7-21(18,19)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyKLOCBYGROOSMBX-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.64
Rot. Bonds4

About N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide

N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide (PubChem CID 43715791) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
PubChem CID43715791
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C14H20N2O4S/c1-10(17)15-12-3-4-14(20-2)13(9-12)16-11-5-7-21(18,19)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyKLOCBYGROOSMBX-UHFFFAOYSA-N
XLogP1.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 97335336
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
CID 63162861
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
N-(2-methoxy-5-nitrophenyl)-1,1-dioxothian-4-amine
CID 43717817
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
2-(5-acetamido-2-methoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520987
1-(3,4-dimethoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 52592483
N-(3,4-dimethoxyphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 84577292
N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 109001681

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide (CID 43715791) is N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide?
The InChIKey is KLOCBYGROOSMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(17)15-12-3-4-14(20-2)13(9-12)16-11-5-7-21(18,19)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide?
N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 43715791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).