N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide

C29H33N3O2S — CID 23098781

IUPACN-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3ccc(NC(=O)CC(C)(C)C)cc3)ccc21
InChIInChI=1S/C29H33N3O2S/c1-6-32-25-10-8-7-9-23(25)24-17-21(13-16-26(24)32)31-28(34)19(2)35-22-14-11-20(12-15-22)30-27(33)18-29(3,4)5/h7-17,19H,6,18H2,1-5H3,(H,30,33)(H,31,34)
InChIKeyBWEKYUNHYBQVOC-UHFFFAOYSA-N
MW487.67 g/mol
LogP7.31
Rot. Bonds7

About N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide

N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide (PubChem CID 23098781) has the molecular formula C29H33N3O2S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
PubChem CID23098781
Molecular FormulaC29H33N3O2S
Molecular Weight487.67 g/mol
Exact Mass487.23
IUPAC NameN-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3ccc(NC(=O)CC(C)(C)C)cc3)ccc21
InChIInChI=1S/C29H33N3O2S/c1-6-32-25-10-8-7-9-23(25)24-17-21(13-16-26(24)32)31-28(34)19(2)35-22-14-11-20(12-15-22)30-27(33)18-29(3,4)5/h7-17,19H,6,18H2,1-5H3,(H,30,33)(H,31,34)
InChIKeyBWEKYUNHYBQVOC-UHFFFAOYSA-N
XLogP7.31
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 21167732
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CID 167911197
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
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CID 22776873
N-(9-ethylcarbazol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4817977
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
CID 90300464
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19299111
2-[4-[(2-chloro-3-pyridinyl)methylideneamino]phenyl]sulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 87048019
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide (CID 23098781) is N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide is CCn1c2ccccc2c2cc(NC(=O)C(C)Sc3ccc(NC(=O)CC(C)(C)C)cc3)ccc21.
What is the InChIKey of N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide?
The InChIKey is BWEKYUNHYBQVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2S/c1-6-32-25-10-8-7-9-23(25)24-17-21(13-16-26(24)32)31-28(34)19(2)35-22-14-11-20(12-15-22)30-27(33)18-29(3,4)5/h7-17,19H,6,18H2,1-5H3,(H,30,33)(H,31,34).
What are the key properties of N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide?
N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide has a molecular weight of 487.67 g/mol, XLogP of 7.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 23098781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).