2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide

C16H25ClN2OS — CID 79127344

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C16H25ClN2OS/c1-3-5-9-19(10-6-4-2)16(20)12-21-15-11-13(18)7-8-14(15)17/h7-8,11H,3-6,9-10,12,18H2,1-2H3
InChIKeyNHOHUCSRNQYBQW-UHFFFAOYSA-N
MW328.91 g/mol
LogP4.44
Rot. Bonds9

About 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide

2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide (PubChem CID 79127344) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide
PubChem CID79127344
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C16H25ClN2OS/c1-3-5-9-19(10-6-4-2)16(20)12-21-15-11-13(18)7-8-14(15)17/h7-8,11H,3-6,9-10,12,18H2,1-2H3
InChIKeyNHOHUCSRNQYBQW-UHFFFAOYSA-N
XLogP4.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(5-amino-2-chlorophenyl)sulfanylacetate
CID 79133347
2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79133437
2-(5-amino-2-chlorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79127346
4-chloro-3-(2-chloroprop-2-enylsulfanyl)aniline
CID 79133542
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
CID 79134085
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
1-[2-(5-amino-2-chlorophenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79134547
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide (CID 79127344) is 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide is CCCCN(CCCC)C(=O)CSc1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide?
The InChIKey is NHOHUCSRNQYBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2OS/c1-3-5-9-19(10-6-4-2)16(20)12-21-15-11-13(18)7-8-14(15)17/h7-8,11H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide has a molecular weight of 328.91 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfanyl-N,N-dibutylacetamide is sourced from PubChem (CID 79127344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).