(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide

C24H24N2OS — CID 124582604

IUPAC(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)SCc3ccccc3)ccc21
InChIInChI=1S/C24H24N2OS/c1-3-26-22-12-8-7-11-20(22)21-15-19(13-14-23(21)26)25-24(27)17(2)28-16-18-9-5-4-6-10-18/h4-15,17H,3,16H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyIUWFNOVVEJAJNH-KRWDZBQOSA-N
MW388.54 g/mol
LogP6.07
Rot. Bonds6

About (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide

(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 124582604) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID124582604
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)SCc3ccccc3)ccc21
InChIInChI=1S/C24H24N2OS/c1-3-26-22-12-8-7-11-20(22)21-15-19(13-14-23(21)26)25-24(27)17(2)28-16-18-9-5-4-6-10-18/h4-15,17H,3,16H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyIUWFNOVVEJAJNH-KRWDZBQOSA-N
XLogP6.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23098781
N-(9-ethylcarbazol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4817977
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
CID 7389232
2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide
CID 4317269
N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 21167732
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
(2R)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 2546572
N-(9-ethylcarbazol-3-yl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 42911814
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(9-ethylcarbazol-3-yl)propanamide
CID 40689904
(2S)-2-benzylsulfanyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 100549791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide (CID 124582604) is (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)[C@H](C)SCc3ccccc3)ccc21.
What is the InChIKey of (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is IUWFNOVVEJAJNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-3-26-22-12-8-7-11-20(22)21-15-19(13-14-23(21)26)25-24(27)17(2)28-16-18-9-5-4-6-10-18/h4-15,17H,3,16H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide?
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 388.54 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 124582604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).