N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide

C18H21ClN4O4S — CID 56557002

IUPACN-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1
InChIInChI=1S/C18H21ClN4O4S/c1-12(24)22-15-7-8-17(16(19)9-15)23-18(25)21-10-13-3-5-14(6-4-13)11-28(26,27)20-2/h3-9,20H,10-11H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyKDFRHZYOPUMJAO-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.67
Rot. Bonds7

About N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide

N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide (PubChem CID 56557002) has the molecular formula C18H21ClN4O4S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
PubChem CID56557002
Molecular FormulaC18H21ClN4O4S
Molecular Weight424.91 g/mol
Exact Mass424.10
IUPAC NameN-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1
InChIInChI=1S/C18H21ClN4O4S/c1-12(24)22-15-7-8-17(16(19)9-15)23-18(25)21-10-13-3-5-14(6-4-13)11-28(26,27)20-2/h3-9,20H,10-11H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyKDFRHZYOPUMJAO-UHFFFAOYSA-N
XLogP2.67
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide (CID 56557002) is N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide is CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1.
What is the InChIKey of N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
The InChIKey is KDFRHZYOPUMJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4S/c1-12(24)22-15-7-8-17(16(19)9-15)23-18(25)21-10-13-3-5-14(6-4-13)11-28(26,27)20-2/h3-9,20H,10-11H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 2.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 56557002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).