4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide

C14H21ClN2OS — CID 116503809

IUPAC4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide
SMILESCCSCCCNc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2OS/c1-4-19-9-5-8-16-13-10-11(6-7-12(13)15)14(18)17(2)3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyANPXDYFNBRSHMO-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.60
Rot. Bonds7

About 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide

4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide (PubChem CID 116503809) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide
PubChem CID116503809
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide
SMILESCCSCCCNc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2OS/c1-4-19-9-5-8-16-13-10-11(6-7-12(13)15)14(18)17(2)3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyANPXDYFNBRSHMO-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
N,N-dimethyl-3-(3-methylsulfanylpropylamino)-4-nitrobenzamide
CID 82988556
4-chloro-3-(pentylamino)benzamide
CID 43679378
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide (CID 116503809) is 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide is CCSCCCNc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide?
The InChIKey is ANPXDYFNBRSHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-4-19-9-5-8-16-13-10-11(6-7-12(13)15)14(18)17(2)3/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide?
4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide has a molecular weight of 300.86 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 116503809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).