N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide

C31H29N3O3S — CID 21167732

IUPACN-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3ccc(NC(=O)COc4ccccc4)cc3)ccc21
InChIInChI=1S/C31H29N3O3S/c1-3-34-28-12-8-7-11-26(28)27-19-23(15-18-29(27)34)33-31(36)21(2)38-25-16-13-22(14-17-25)32-30(35)20-37-24-9-5-4-6-10-24/h4-19,21H,3,20H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyHDILXONYHXFUJA-UHFFFAOYSA-N
MW523.66 g/mol
LogP6.95
Rot. Bonds9

About N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide

N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide (PubChem CID 21167732) has the molecular formula C31H29N3O3S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
PubChem CID21167732
Molecular FormulaC31H29N3O3S
Molecular Weight523.66 g/mol
Exact Mass523.19
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3ccc(NC(=O)COc4ccccc4)cc3)ccc21
InChIInChI=1S/C31H29N3O3S/c1-3-34-28-12-8-7-11-26(28)27-19-23(15-18-29(27)34)33-31(36)21(2)38-25-16-13-22(14-17-25)32-30(35)20-37-24-9-5-4-6-10-24/h4-19,21H,3,20H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyHDILXONYHXFUJA-UHFFFAOYSA-N
XLogP6.95
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.66
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23098781
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 23100140
2-[4-[(2-chloro-3-pyridinyl)methylideneamino]phenyl]sulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 87048019
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N-(9-ethylcarbazol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4817977
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 30129148
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19299111

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide (CID 21167732) is N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide is CCn1c2ccccc2c2cc(NC(=O)C(C)Sc3ccc(NC(=O)COc4ccccc4)cc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
The InChIKey is HDILXONYHXFUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3S/c1-3-34-28-12-8-7-11-26(28)27-19-23(15-18-29(27)34)33-31(36)21(2)38-25-16-13-22(14-17-25)32-30(35)20-37-24-9-5-4-6-10-24/h4-19,21H,3,20H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide has a molecular weight of 523.66 g/mol, XLogP of 6.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 21167732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).