N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide

C17H18ClN3O3S — CID 56994150

IUPACN-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCOc1c(C)cc(NC(=O)N(S)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C17H18ClN3O3S/c1-10-8-13(9-15(18)16(10)24-3)20-17(23)21(25)14-6-4-12(5-7-14)19-11(2)22/h4-9,25H,1-3H3,(H,19,22)(H,20,23)
InChIKeySOSHZBAMUVRNJT-UHFFFAOYSA-N
MW379.87 g/mol
LogP4.50
Rot. Bonds4

About N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide

N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide (PubChem CID 56994150) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
PubChem CID56994150
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCOc1c(C)cc(NC(=O)N(S)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C17H18ClN3O3S/c1-10-8-13(9-15(18)16(10)24-3)20-17(23)21(25)14-6-4-12(5-7-14)19-11(2)22/h4-9,25H,1-3H3,(H,19,22)(H,20,23)
InChIKeySOSHZBAMUVRNJT-UHFFFAOYSA-N
XLogP4.50
TPSA70.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[3-chloro-4-(trifluoromethyl)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57061867
N-[4-[[3-chloro-4-(2-hydroxyethoxy)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57074482
N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57262089
N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
CID 57046607
N-[4-[(3-chloro-4-piperidin-1-ylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57178259
N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57166144
N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57222382
N-[4-[[3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57184489
N-[4-[(3-chloro-4-methylphenyl)carbamoyl-sulfanylamino]phenyl]-2,6-difluorobenzamide
CID 57291327
N-[4-[(4-acetamidophenyl)carbamoyl-sulfanylamino]-2-chlorophenyl]benzamide
CID 57049260
N-[4-[(3-chloro-4-methylsulfanylphenyl)carbamoyl-sulfanylamino]phenyl]-2,6-difluorobenzamide
CID 57085382
N-[4-[[2-(benzylamino)-4-methoxyphenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57267742

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide (CID 56994150) is N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide is COc1c(C)cc(NC(=O)N(S)c2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The InChIKey is SOSHZBAMUVRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-10-8-13(9-15(18)16(10)24-3)20-17(23)21(25)14-6-4-12(5-7-14)19-11(2)22/h4-9,25H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide has a molecular weight of 379.87 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide is sourced from PubChem (CID 56994150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).