N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide

C24H23FN4O3S — CID 55971946

IUPACN-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C24H23FN4O3S/c1-15-13-20(28-22(30)16-7-6-8-17(25)14-16)33-21(15)23(31)26-18-9-2-3-10-19(18)27-24(32)29-11-4-5-12-29/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyXRVZIFWRCJSALK-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.33
Rot. Bonds5

About N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55971946) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID55971946
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC NameN-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C24H23FN4O3S/c1-15-13-20(28-22(30)16-7-6-8-17(25)14-16)33-21(15)23(31)26-18-9-2-3-10-19(18)27-24(32)29-11-4-5-12-29/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyXRVZIFWRCJSALK-UHFFFAOYSA-N
XLogP5.33
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 55971946) is N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is XRVZIFWRCJSALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15-13-20(28-22(30)16-7-6-8-17(25)14-16)33-21(15)23(31)26-18-9-2-3-10-19(18)27-24(32)29-11-4-5-12-29/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,26,31)(H,27,32)(H,28,30).
What are the key properties of N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55971946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).