2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide

C28H31N3O3S — CID 3441414

IUPAC2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCCn1c2ccccc2c2cc(SCC(NC(C)=O)C(=O)N(CCO)Cc3ccccc3)ccc21
InChIInChI=1S/C28H31N3O3S/c1-3-31-26-12-8-7-11-23(26)24-17-22(13-14-27(24)31)35-19-25(29-20(2)33)28(34)30(15-16-32)18-21-9-5-4-6-10-21/h4-14,17,25,32H,3,15-16,18-19H2,1-2H3,(H,29,33)
InChIKeyFPWDSPUPKMHZEK-UHFFFAOYSA-N
MW489.64 g/mol
LogP4.43
Rot. Bonds10

About 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide

2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide (PubChem CID 3441414) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide
PubChem CID3441414
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC Name2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCCn1c2ccccc2c2cc(SCC(NC(C)=O)C(=O)N(CCO)Cc3ccccc3)ccc21
InChIInChI=1S/C28H31N3O3S/c1-3-31-26-12-8-7-11-23(26)24-17-22(13-14-27(24)31)35-19-25(29-20(2)33)28(34)30(15-16-32)18-21-9-5-4-6-10-21/h4-14,17,25,32H,3,15-16,18-19H2,1-2H3,(H,29,33)
InChIKeyFPWDSPUPKMHZEK-UHFFFAOYSA-N
XLogP4.43
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-benzylpiperidin-1-yl)-3-(9-ethylcarbazol-3-yl)sulfanyl-1-oxopropan-2-yl]acetamide
CID 4017017
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
CID 4286433
2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 4030996
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-ethylhexyl)propanamide
CID 4211528
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60654045
2-acetamido-N-ethyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanylpropanamide
CID 3247872
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3905889
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide
CID 3435227
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide (CID 3441414) is 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide is CCn1c2ccccc2c2cc(SCC(NC(C)=O)C(=O)N(CCO)Cc3ccccc3)ccc21.
What is the InChIKey of 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is FPWDSPUPKMHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-3-31-26-12-8-7-11-23(26)24-17-22(13-14-27(24)31)35-19-25(29-20(2)33)28(34)30(15-16-32)18-21-9-5-4-6-10-21/h4-14,17,25,32H,3,15-16,18-19H2,1-2H3,(H,29,33).
What are the key properties of 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide?
2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 489.64 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 3441414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).