N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide

C18H20N4O4S — CID 43072776

IUPACN-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H20N4O4S/c23-17(9-11-20-27(25,26)16-2-1-10-19-12-16)21-14-5-7-15(8-6-14)22-18(24)13-3-4-13/h1-2,5-8,10,12-13,20H,3-4,9,11H2,(H,21,23)(H,22,24)
InChIKeySHTHDNQSKPSEHD-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.74
Rot. Bonds8

About N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide

N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 43072776) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID43072776
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H20N4O4S/c23-17(9-11-20-27(25,26)16-2-1-10-19-12-16)21-14-5-7-15(8-6-14)22-18(24)13-3-4-13/h1-2,5-8,10,12-13,20H,3-4,9,11H2,(H,21,23)(H,22,24)
InChIKeySHTHDNQSKPSEHD-UHFFFAOYSA-N
XLogP1.74
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31963033
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 43072761
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
CID 79193047
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 94078717
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24682845
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide (CID 43072776) is N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide is O=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is SHTHDNQSKPSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c23-17(9-11-20-27(25,26)16-2-1-10-19-12-16)21-14-5-7-15(8-6-14)22-18(24)13-3-4-13/h1-2,5-8,10,12-13,20H,3-4,9,11H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43072776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).