(NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide

C23H23NO2S — CID 178178473

IUPAC(NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C1\C[C@H](c2ccccc2)Oc2cc3ccccc3cc21
InChIInChI=1S/C23H23NO2S/c1-23(2,3)27(25)24-20-15-21(16-9-5-4-6-10-16)26-22-14-18-12-8-7-11-17(18)13-19(20)22/h4-14,21H,15H2,1-3H3/b24-20+/t21-,27+/m1/s1
InChIKeyJVHKYWOKQJNFKS-GDJMMAEUSA-N
MW377.51 g/mol
LogP5.61
Rot. Bonds2

About (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide

(NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide (PubChem CID 178178473) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide
PubChem CID178178473
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name(NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C1\C[C@H](c2ccccc2)Oc2cc3ccccc3cc21
InChIInChI=1S/C23H23NO2S/c1-23(2,3)27(25)24-20-15-21(16-9-5-4-6-10-16)26-22-14-18-12-8-7-11-17(18)13-19(20)22/h4-14,21H,15H2,1-3H3/b24-20+/t21-,27+/m1/s1
InChIKeyJVHKYWOKQJNFKS-GDJMMAEUSA-N
XLogP5.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide?
The IUPAC name of (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide (CID 178178473) is (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C1\C[C@H](c2ccccc2)Oc2cc3ccccc3cc21.
What is the InChIKey of (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide?
The InChIKey is JVHKYWOKQJNFKS-GDJMMAEUSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-23(2,3)27(25)24-20-15-21(16-9-5-4-6-10-16)26-22-14-18-12-8-7-11-17(18)13-19(20)22/h4-14,21H,15H2,1-3H3/b24-20+/t21-,27+/m1/s1.
What are the key properties of (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide?
(NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide has a molecular weight of 377.51 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-2-methyl-N-[(2R)-2-phenyl-2,3-dihydrobenzo[g]chromen-4-ylidene]propane-2-sulfinamide is sourced from PubChem (CID 178178473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).