N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide

C18H21NO3S — CID 95982342

IUPACN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC[C@](O)(c1ccco1)C1CC1
InChIInChI=1S/C18H21NO3S/c20-17(10-12-23-15-5-2-1-3-6-15)19-13-18(21,14-8-9-14)16-7-4-11-22-16/h1-7,11,14,21H,8-10,12-13H2,(H,19,20)/t18-/m1/s1
InChIKeyQURZMHBVPVZBFY-GOSISDBHSA-N
MW331.44 g/mol
LogP3.18
Rot. Bonds8

About N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide

N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide (PubChem CID 95982342) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
PubChem CID95982342
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC[C@](O)(c1ccco1)C1CC1
InChIInChI=1S/C18H21NO3S/c20-17(10-12-23-15-5-2-1-3-6-15)19-13-18(21,14-8-9-14)16-7-4-11-22-16/h1-7,11,14,21H,8-10,12-13H2,(H,19,20)/t18-/m1/s1
InChIKeyQURZMHBVPVZBFY-GOSISDBHSA-N
XLogP3.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide (CID 95982342) is N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC[C@](O)(c1ccco1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
The InChIKey is QURZMHBVPVZBFY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-17(10-12-23-15-5-2-1-3-6-15)19-13-18(21,14-8-9-14)16-7-4-11-22-16/h1-7,11,14,21H,8-10,12-13H2,(H,19,20)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 95982342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).