3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide

C10H11N3O3S — CID 123411149

IUPAC3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide
SMILESCCOc1cccc(C(N)=O)c1NC(=O)N=S
InChIInChI=1S/C10H11N3O3S/c1-2-16-7-5-3-4-6(9(11)14)8(7)12-10(15)13-17/h3-5H,2H2,1H3,(H2,11,14)(H,12,15)
InChIKeyKUSBLSNUDLCEDR-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.45
Rot. Bonds4

About 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide

3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide (PubChem CID 123411149) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide.

Molecular Properties

Compound Name3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide
PubChem CID123411149
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide
SMILESCCOc1cccc(C(N)=O)c1NC(=O)N=S
InChIInChI=1S/C10H11N3O3S/c1-2-16-7-5-3-4-6(9(11)14)8(7)12-10(15)13-17/h3-5H,2H2,1H3,(H2,11,14)(H,12,15)
InChIKeyKUSBLSNUDLCEDR-UHFFFAOYSA-N
XLogP1.45
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-ethoxybenzamide
CID 70121071
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
2-[(5-acetyl-2-ethoxybenzoyl)amino]-3-methylbenzamide
CID 18536582
3-amino-2-(3-ethoxyanilino)benzamide
CID 115934510
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
N-(3-carbamothioylpentan-3-yl)-2-ethoxybenzamide
CID 61121162
2-ethoxybenzenecarboperoxoic acid
CID 22314606
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
ethane;2-ethoxy-N-methylbenzamide
CID 142472808

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide?
The IUPAC name of 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide (CID 123411149) is 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide.
What is the SMILES notation for 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide?
The canonical SMILES for 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide is CCOc1cccc(C(N)=O)c1NC(=O)N=S.
What is the InChIKey of 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide?
The InChIKey is KUSBLSNUDLCEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-2-16-7-5-3-4-6(9(11)14)8(7)12-10(15)13-17/h3-5H,2H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide?
3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide has a molecular weight of 253.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide is sourced from PubChem (CID 123411149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).