2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide

C18H23NOS — CID 102383514

IUPAC2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide
SMILESCC(C)N(C(=O)C1C=CC=C1Sc1ccccc1)C(C)C
InChIInChI=1S/C18H23NOS/c1-13(2)19(14(3)4)18(20)16-11-8-12-17(16)21-15-9-6-5-7-10-15/h5-14,16H,1-4H3
InChIKeyOCZBPZPPONMCAA-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.49
Rot. Bonds5

About 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide

2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide (PubChem CID 102383514) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide
PubChem CID102383514
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide
SMILESCC(C)N(C(=O)C1C=CC=C1Sc1ccccc1)C(C)C
InChIInChI=1S/C18H23NOS/c1-13(2)19(14(3)4)18(20)16-11-8-12-17(16)21-15-9-6-5-7-10-15/h5-14,16H,1-4H3
InChIKeyOCZBPZPPONMCAA-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide (CID 102383514) is 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide is CC(C)N(C(=O)C1C=CC=C1Sc1ccccc1)C(C)C.
What is the InChIKey of 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is OCZBPZPPONMCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(2)19(14(3)4)18(20)16-11-8-12-17(16)21-15-9-6-5-7-10-15/h5-14,16H,1-4H3.
What are the key properties of 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide?
2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 301.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N,N-di(propan-2-yl)cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 102383514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).