3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide

C20H23FN4O3S — CID 75400069

IUPAC3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C20H23FN4O3S/c21-18-9-8-16(12-19(18)29(27,28)24-15-6-7-15)23-20(26)25-11-10-17(13-25)22-14-4-2-1-3-5-14/h1-5,8-9,12,15,17,22,24H,6-7,10-11,13H2,(H,23,26)
InChIKeyMNSHVCBHKRTEOC-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.98
Rot. Bonds6

About 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide

3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide (PubChem CID 75400069) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide
PubChem CID75400069
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C20H23FN4O3S/c21-18-9-8-16(12-19(18)29(27,28)24-15-6-7-15)23-20(26)25-11-10-17(13-25)22-14-4-2-1-3-5-14/h1-5,8-9,12,15,17,22,24H,6-7,10-11,13H2,(H,23,26)
InChIKeyMNSHVCBHKRTEOC-UHFFFAOYSA-N
XLogP2.98
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 95239711
(2S)-2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-phenylpropanamide;hydrochloride
CID 119331442
2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
CID 119331434
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
(3R)-3-anilino-N-(4-chloro-2-pyrrol-1-ylphenyl)pyrrolidine-1-carboxamide
CID 99806472
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methyloxolane-2-carboxamide
CID 119042556
1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085287
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
1-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 75400072
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119331454

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide (CID 75400069) is 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide?
The InChIKey is MNSHVCBHKRTEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c21-18-9-8-16(12-19(18)29(27,28)24-15-6-7-15)23-20(26)25-11-10-17(13-25)22-14-4-2-1-3-5-14/h1-5,8-9,12,15,17,22,24H,6-7,10-11,13H2,(H,23,26).
What are the key properties of 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide?
3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75400069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).