4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide

C17H18FN3O2S — CID 78806424

IUPAC4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCCSCc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-15-4-2-1-3-13(15)11-24-10-9-20-16(22)12-5-7-14(8-6-12)21-17(19)23/h1-8H,9-11H2,(H,20,22)(H3,19,21,23)
InChIKeyRDGSNBVVIBQVGB-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.98
Rot. Bonds7

About 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide

4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 78806424) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
PubChem CID78806424
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCCSCc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2S/c18-15-4-2-1-3-13(15)11-24-10-9-20-16(22)12-5-7-14(8-6-12)21-17(19)23/h1-8H,9-11H2,(H,20,22)(H3,19,21,23)
InChIKeyRDGSNBVVIBQVGB-UHFFFAOYSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46653260
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
4-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196852
4-(1,3-dithian-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 8744638
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
3-(2-amino-2-oxoethoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 134048512
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78804753
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2742022
1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100622585
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide
CID 8743437
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide (CID 78806424) is 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide is NC(=O)Nc1ccc(C(=O)NCCSCc2ccccc2F)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is RDGSNBVVIBQVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-15-4-2-1-3-13(15)11-24-10-9-20-16(22)12-5-7-14(8-6-12)21-17(19)23/h1-8H,9-11H2,(H,20,22)(H3,19,21,23).
What are the key properties of 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide?
4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 78806424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).