N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C18H24N4O3S3 — CID 3221364

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1
InChIInChI=1S/C18H24N4O3S3/c1-12(26-18-21-20-13(2)27-18)17(23)19-14-8-10-16(11-9-14)28(24,25)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3,(H,19,23)
InChIKeyUEXFAUBLUQIHOS-UHFFFAOYSA-N
MW440.62 g/mol
LogP3.58
Rot. Bonds7

About N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 3221364) has the molecular formula C18H24N4O3S3 and a molecular weight of 440.62 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID3221364
Molecular FormulaC18H24N4O3S3
Molecular Weight440.62 g/mol
Exact Mass440.10
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1
InChIInChI=1S/C18H24N4O3S3/c1-12(26-18-21-20-13(2)27-18)17(23)19-14-8-10-16(11-9-14)28(24,25)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3,(H,19,23)
InChIKeyUEXFAUBLUQIHOS-UHFFFAOYSA-N
XLogP3.58
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 3221364) is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is UEXFAUBLUQIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S3/c1-12(26-18-21-20-13(2)27-18)17(23)19-14-8-10-16(11-9-14)28(24,25)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3,(H,19,23).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 440.62 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 3221364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).