N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

C27H23N3O2S2 — CID 19298769

IUPACN-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3cccc(NC(=O)c4cccs4)c3)ccc21
InChIInChI=1S/C27H23N3O2S2/c1-2-30-23-10-4-3-9-21(23)22-16-19(12-13-24(22)30)28-26(31)17-34-20-8-5-7-18(15-20)29-27(32)25-11-6-14-33-25/h3-16H,2,17H2,1H3,(H,28,31)(H,29,32)
InChIKeyWYRTUAHBJIAUFW-UHFFFAOYSA-N
MW485.63 g/mol
LogP6.86
Rot. Bonds7

About N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 19298769) has the molecular formula C27H23N3O2S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID19298769
Molecular FormulaC27H23N3O2S2
Molecular Weight485.63 g/mol
Exact Mass485.12
IUPAC NameN-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3cccc(NC(=O)c4cccs4)c3)ccc21
InChIInChI=1S/C27H23N3O2S2/c1-2-30-23-10-4-3-9-21(23)22-16-19(12-13-24(22)30)28-26(31)17-34-20-8-5-7-18(15-20)29-27(32)25-11-6-14-33-25/h3-16H,2,17H2,1H3,(H,28,31)(H,29,32)
InChIKeyWYRTUAHBJIAUFW-UHFFFAOYSA-N
XLogP6.86
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906207
N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298764
N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906203
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N-[(Z)-3-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19320269
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
N-[(E)-1-(2-ethoxyphenyl)-3-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19320125
N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298761
5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
CID 2313809
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906235
(E)-4-[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22785050
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 4256931

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 19298769) is N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is CCn1c2ccccc2c2cc(NC(=O)CSc3cccc(NC(=O)c4cccs4)c3)ccc21.
What is the InChIKey of N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is WYRTUAHBJIAUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S2/c1-2-30-23-10-4-3-9-21(23)22-16-19(12-13-24(22)30)28-26(31)17-34-20-8-5-7-18(15-20)29-27(32)25-11-6-14-33-25/h3-16H,2,17H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 6.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19298769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).