N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide

C16H20FN3O4S — CID 18133694

IUPACN-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1
InChIInChI=1S/C16H20FN3O4S/c17-11-1-7-14(8-2-11)25(23,24)20(9-15(21)18-12-3-4-12)10-16(22)19-13-5-6-13/h1-2,7-8,12-13H,3-6,9-10H2,(H,18,21)(H,19,22)
InChIKeyGPULDVFBMCGSLA-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.37
Rot. Bonds8

About N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide

N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 18133694) has the molecular formula C16H20FN3O4S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID18133694
Molecular FormulaC16H20FN3O4S
Molecular Weight369.42 g/mol
Exact Mass369.12
IUPAC NameN-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1
InChIInChI=1S/C16H20FN3O4S/c17-11-1-7-14(8-2-11)25(23,24)20(9-15(21)18-12-3-4-12)10-16(22)19-13-5-6-13/h1-2,7-8,12-13H,3-6,9-10H2,(H,18,21)(H,19,22)
InChIKeyGPULDVFBMCGSLA-UHFFFAOYSA-N
XLogP0.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2985758
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
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N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
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N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 124743858
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 705727
tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide (CID 18133694) is N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide is O=C(CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is GPULDVFBMCGSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4S/c17-11-1-7-14(8-2-11)25(23,24)20(9-15(21)18-12-3-4-12)10-16(22)19-13-5-6-13/h1-2,7-8,12-13H,3-6,9-10H2,(H,18,21)(H,19,22).
What are the key properties of N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide?
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 369.42 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 18133694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).