cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide

C20H21FN2O3S — CID 98790638

IUPACcis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O3S/c21-16-6-3-5-15(12-16)17-13-18(17)20(24)22-9-11-27(25,26)23-10-8-14-4-1-2-7-19(14)23/h1-7,12,17-18H,8-11,13H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyRJHANXALNHAYND-ROUUACIJSA-N
MW388.46 g/mol
LogP2.44
Rot. Bonds6

About cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 98790638) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID98790638
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Namecis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C20H21FN2O3S/c21-16-6-3-5-15(12-16)17-13-18(17)20(24)22-9-11-27(25,26)23-10-8-14-4-1-2-7-19(14)23/h1-7,12,17-18H,8-11,13H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyRJHANXALNHAYND-ROUUACIJSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 111876745
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine;hydroiodide
CID 111876744
5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide
CID 74651572
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
CID 55662732
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111083281
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110918358
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 124831156
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853554

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 98790638) is cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1C[C@H]1c1cccc(F)c1.
What is the InChIKey of cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is RJHANXALNHAYND-ROUUACIJSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-16-6-3-5-15(12-16)17-13-18(17)20(24)22-9-11-27(25,26)23-10-8-14-4-1-2-7-19(14)23/h1-7,12,17-18H,8-11,13H2,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 98790638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).