1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene

C14H19FN2O4S — CID 154872315

IUPAC1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene
SMILESCCN(CCC1CC1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C14H19FN2O4S/c1-2-17(10-9-11-3-4-11)14(18)16-12-5-7-13(8-6-12)21-22(15,19)20/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyUOCSMKDKDOVLGL-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.93
Rot. Bonds7

About 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene

1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene (PubChem CID 154872315) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene
PubChem CID154872315
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene
SMILESCCN(CCC1CC1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C14H19FN2O4S/c1-2-17(10-9-11-3-4-11)14(18)16-12-5-7-13(8-6-12)21-22(15,19)20/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyUOCSMKDKDOVLGL-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
CID 154872347
1-chloro-4-[2-[(4-fluorosulfonyloxyphenyl)carbamoyl-methylamino]ethyl]benzene
CID 167902787
3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid
CID 62327824
4-[[[2-cyclopropylethyl(ethyl)carbamoyl]amino]methyl]benzoic acid
CID 122020805
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane
CID 154872184
1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene
CID 166417194
[4-[[butyl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 5179532
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine
CID 167925418
[4-[[(4-ethoxyphenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3260898

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene?
The IUPAC name of 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene (CID 154872315) is 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene?
The canonical SMILES for 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene is CCN(CCC1CC1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene?
The InChIKey is UOCSMKDKDOVLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-2-17(10-9-11-3-4-11)14(18)16-12-5-7-13(8-6-12)21-22(15,19)20/h5-8,11H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene?
1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene has a molecular weight of 330.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene is sourced from PubChem (CID 154872315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).