N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide

C14H20N2O2S — CID 43715792

IUPACN-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CCSCC1
InChIInChI=1S/C14H20N2O2S/c1-10(17)15-12-3-4-14(18-2)13(9-12)16-11-5-7-19-8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyKVHHRDUPSZKFIE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.96
Rot. Bonds4

About N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide

N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide (PubChem CID 43715792) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
PubChem CID43715792
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC1CCSCC1
InChIInChI=1S/C14H20N2O2S/c1-10(17)15-12-3-4-14(18-2)13(9-12)16-11-5-7-19-8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyKVHHRDUPSZKFIE-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
CID 43715791
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 97335336
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
1-(4-chloro-3-methoxyphenyl)-3-(thian-4-yl)urea
CID 99841207
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine
CID 43193326
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide (CID 43715792) is N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide is COc1ccc(NC(C)=O)cc1NC1CCSCC1.
What is the InChIKey of N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide?
The InChIKey is KVHHRDUPSZKFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(17)15-12-3-4-14(18-2)13(9-12)16-11-5-7-19-8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide?
N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide is sourced from PubChem (CID 43715792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).