N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C26H22FN3O3S2 — CID 30276735

IUPACN-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C26H22FN3O3S2/c1-2-29-23-7-4-3-6-21(23)22-16-19(11-14-24(22)29)28-25(31)17-30(20-12-9-18(27)10-13-20)35(32,33)26-8-5-15-34-26/h3-16H,2,17H2,1H3,(H,28,31)
InChIKeyBJUSFODHLQQLDZ-UHFFFAOYSA-N
MW507.61 g/mol
LogP5.85
Rot. Bonds7

About N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 30276735) has the molecular formula C26H22FN3O3S2 and a molecular weight of 507.61 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID30276735
Molecular FormulaC26H22FN3O3S2
Molecular Weight507.61 g/mol
Exact Mass507.11
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C26H22FN3O3S2/c1-2-29-23-7-4-3-6-21(23)22-16-19(11-14-24(22)29)28-25(31)17-30(20-12-9-18(27)10-13-20)35(32,33)26-8-5-15-34-26/h3-16H,2,17H2,1H3,(H,28,31)
InChIKeyBJUSFODHLQQLDZ-UHFFFAOYSA-N
XLogP5.85
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30271978
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275804
N-(9-ethylcarbazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168613
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43900957
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 43900903
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
2-[benzenesulfonyl(ethyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 45372945
N-(2,4-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 15990975
N-(2,5-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 126458216
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900479
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100540537

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 30276735) is N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3cccs3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is BJUSFODHLQQLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3S2/c1-2-29-23-7-4-3-6-21(23)22-16-19(11-14-24(22)29)28-25(31)17-30(20-12-9-18(27)10-13-20)35(32,33)26-8-5-15-34-26/h3-16H,2,17H2,1H3,(H,28,31).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 507.61 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30276735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).