2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide

C19H20Cl2N2O2S2 — CID 16679797

IUPAC2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1SCCCSc1ccccc1NC(=O)CCl
InChIInChI=1S/C19H20Cl2N2O2S2/c20-12-18(24)22-14-6-1-3-8-16(14)26-10-5-11-27-17-9-4-2-7-15(17)23-19(25)13-21/h1-4,6-9H,5,10-13H2,(H,22,24)(H,23,25)
InChIKeyTZOJOERKPDPRCN-UHFFFAOYSA-N
MW443.42 g/mol
LogP5.32
Rot. Bonds10

About 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide

2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide (PubChem CID 16679797) has the molecular formula C19H20Cl2N2O2S2 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide
PubChem CID16679797
Molecular FormulaC19H20Cl2N2O2S2
Molecular Weight443.42 g/mol
Exact Mass442.03
IUPAC Name2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1SCCCSc1ccccc1NC(=O)CCl
InChIInChI=1S/C19H20Cl2N2O2S2/c20-12-18(24)22-14-6-1-3-8-16(14)26-10-5-11-27-17-9-4-2-7-15(17)23-19(25)13-21/h1-4,6-9H,5,10-13H2,(H,22,24)(H,23,25)
InChIKeyTZOJOERKPDPRCN-UHFFFAOYSA-N
XLogP5.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
13-[2-(3-carboxypropylsulfanyl)anilino]-13-oxotridecanoic acid
CID 18795732
19-[2-(3-carboxypropylsulfanyl)anilino]-19-oxononadecanoic acid
CID 18796193
2-chloro-N-[2-[methoxyphosphanyl(phenyl)methyl]sulfanylphenyl]acetamide
CID 89046771
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773448
4-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]butanamide;hydrochloride
CID 119317704
4-[2-(11-ethylsulfanylundecanoylamino)phenyl]sulfanylbutanoic acid
CID 18795733
9-oxo-9-[2-(4-sulfobutylsulfanyl)anilino]nonanoic acid
CID 18795877
12-oxo-12-[2-(4-sulfosulfanylbutylsulfanyl)anilino]dodecanoic acid
CID 57170001
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide (CID 16679797) is 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide is O=C(CCl)Nc1ccccc1SCCCSc1ccccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide?
The InChIKey is TZOJOERKPDPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2S2/c20-12-18(24)22-14-6-1-3-8-16(14)26-10-5-11-27-17-9-4-2-7-15(17)23-19(25)13-21/h1-4,6-9H,5,10-13H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide?
2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide has a molecular weight of 443.42 g/mol, XLogP of 5.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 16679797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).