N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide

C12H14Cl2N2OS — CID 61120309

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide
SMILESCCCC(NC(=O)c1c(Cl)cccc1Cl)C(N)=S
InChIInChI=1S/C12H14Cl2N2OS/c1-2-4-9(11(15)18)16-12(17)10-7(13)5-3-6-8(10)14/h3,5-6,9H,2,4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyUCBSAFVRDPUSQW-UHFFFAOYSA-N
MW305.23 g/mol
LogP3.18
Rot. Bonds5

About N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide (PubChem CID 61120309) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide
PubChem CID61120309
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide
SMILESCCCC(NC(=O)c1c(Cl)cccc1Cl)C(N)=S
InChIInChI=1S/C12H14Cl2N2OS/c1-2-4-9(11(15)18)16-12(17)10-7(13)5-3-6-8(10)14/h3,5-6,9H,2,4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyUCBSAFVRDPUSQW-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chloro-4-methylbenzamide
CID 106861270
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylbenzamide
CID 61120312
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide
CID 106684884
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-methylbenzamide
CID 82883979
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-fluorobenzamide
CID 61120893
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methylsulfonylbenzamide
CID 61120898
methyl 2,3-bis[(2,6-dichlorobenzoyl)amino]propanoate
CID 139970116
methyl 2-[(2,6-dichlorobenzoyl)amino]pent-4-ynoate
CID 20610296
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]sulfanylbutanoate
CID 70122341

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide (CID 61120309) is N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide is CCCC(NC(=O)c1c(Cl)cccc1Cl)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide?
The InChIKey is UCBSAFVRDPUSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c1-2-4-9(11(15)18)16-12(17)10-7(13)5-3-6-8(10)14/h3,5-6,9H,2,4H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide has a molecular weight of 305.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide is sourced from PubChem (CID 61120309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).