N-cycloheptyl-3-phenylsulfanylpropanamide

C16H23NOS — CID 895824

IUPACN-cycloheptyl-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C16H23NOS/c18-16(17-14-8-4-1-2-5-9-14)12-13-19-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,17,18)
InChIKeyDHIPLSRMGUUBJW-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.01
Rot. Bonds5

About N-cycloheptyl-3-phenylsulfanylpropanamide

N-cycloheptyl-3-phenylsulfanylpropanamide (PubChem CID 895824) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-cycloheptyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-phenylsulfanylpropanamide
PubChem CID895824
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-cycloheptyl-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C16H23NOS/c18-16(17-14-8-4-1-2-5-9-14)12-13-19-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,17,18)
InChIKeyDHIPLSRMGUUBJW-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-cycloheptyl-3-phenylsulfanylpropanamide (CID 895824) is N-cycloheptyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-cycloheptyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-cycloheptyl-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-phenylsulfanylpropanamide?
The InChIKey is DHIPLSRMGUUBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c18-16(17-14-8-4-1-2-5-9-14)12-13-19-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,17,18).
What are the key properties of N-cycloheptyl-3-phenylsulfanylpropanamide?
N-cycloheptyl-3-phenylsulfanylpropanamide has a molecular weight of 277.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 895824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).