N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide

C14H16F2N2O4S — CID 51152969

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H16F2N2O4S/c15-14(16)23(21,22)11-5-3-10(4-6-11)13(20)18-8-7-17-12(19)9-1-2-9/h3-6,9,14H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyWYSWJUGKDGBENE-UHFFFAOYSA-N
MW346.36 g/mol
LogP0.94
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide (PubChem CID 51152969) has the molecular formula C14H16F2N2O4S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
PubChem CID51152969
Molecular FormulaC14H16F2N2O4S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H16F2N2O4S/c15-14(16)23(21,22)11-5-3-10(4-6-11)13(20)18-8-7-17-12(19)9-1-2-9/h3-6,9,14H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyWYSWJUGKDGBENE-UHFFFAOYSA-N
XLogP0.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
methyl 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoate
CID 9404633
4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide
CID 2446042
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide
CID 134801894
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide (CID 51152969) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide is O=C(NCCNC(=O)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is WYSWJUGKDGBENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O4S/c15-14(16)23(21,22)11-5-3-10(4-6-11)13(20)18-8-7-17-12(19)9-1-2-9/h3-6,9,14H,1-2,7-8H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 346.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 51152969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).