N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide

C20H19N5O2S — CID 154874344

IUPACN-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C20H19N5O2S/c26-19(15-9-7-14(8-10-15)18-13-28-24-23-18)21-16-5-1-2-6-17(16)22-20(27)25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12H2,(H,21,26)(H,22,27)
InChIKeyKTNMIFBZJVKATK-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.09
Rot. Bonds4

About N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 154874344) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID154874344
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C20H19N5O2S/c26-19(15-9-7-14(8-10-15)18-13-28-24-23-18)21-16-5-1-2-6-17(16)22-20(27)25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12H2,(H,21,26)(H,22,27)
InChIKeyKTNMIFBZJVKATK-UHFFFAOYSA-N
XLogP4.09
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide
CID 2739361
N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972966
1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077826
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55985027
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
4-(methylsulfamoyl)-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984008
N-(pyrrolidine-1-carbonyl)thiadiazole-4-carboxamide
CID 2739124
N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 86992494
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
4-methyl-2-N-[2-(pyrrolidine-1-carbonylamino)phenyl]pyridine-2,5-dicarboxamide
CID 136545651
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
CID 60577463

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 154874344) is N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(-c2csnn2)cc1.
What is the InChIKey of N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KTNMIFBZJVKATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-19(15-9-7-14(8-10-15)18-13-28-24-23-18)21-16-5-1-2-6-17(16)22-20(27)25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12H2,(H,21,26)(H,22,27).
What are the key properties of N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154874344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).