3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide

C18H22N4O3S — CID 164925577

IUPAC3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide
SMILESO=C(CCC1CCC1)Nc1ccc(S(=O)(=O)n2cnc(C3CC3)n2)cc1
InChIInChI=1S/C18H22N4O3S/c23-17(11-4-13-2-1-3-13)20-15-7-9-16(10-8-15)26(24,25)22-12-19-18(21-22)14-5-6-14/h7-10,12-14H,1-6,11H2,(H,20,23)
InChIKeyNKTQUTTUIDWXON-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.91
Rot. Bonds7

About 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide

3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide (PubChem CID 164925577) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide
PubChem CID164925577
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide
SMILESO=C(CCC1CCC1)Nc1ccc(S(=O)(=O)n2cnc(C3CC3)n2)cc1
InChIInChI=1S/C18H22N4O3S/c23-17(11-4-13-2-1-3-13)20-15-7-9-16(10-8-15)26(24,25)22-12-19-18(21-22)14-5-6-14/h7-10,12-14H,1-6,11H2,(H,20,23)
InChIKeyNKTQUTTUIDWXON-UHFFFAOYSA-N
XLogP2.91
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide
CID 170537994
4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]-N-prop-2-ynylbenzamide
CID 166076143
3-cyclohexyl-N-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]propanamide
CID 89236661
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
3-cyclobutyl-N-[3-methyl-4-(1,2,4-triazol-1-ylsulfonyl)phenyl]propanamide
CID 164925425
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]-2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 164926004
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
3-cyclopentyl-N-[4-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]phenyl]propanamide
CID 98142173
3-cyclohexyl-N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]propanamide
CID 89237118

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide?
The IUPAC name of 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide (CID 164925577) is 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide?
The canonical SMILES for 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide is O=C(CCC1CCC1)Nc1ccc(S(=O)(=O)n2cnc(C3CC3)n2)cc1.
What is the InChIKey of 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide?
The InChIKey is NKTQUTTUIDWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c23-17(11-4-13-2-1-3-13)20-15-7-9-16(10-8-15)26(24,25)22-12-19-18(21-22)14-5-6-14/h7-10,12-14H,1-6,11H2,(H,20,23).
What are the key properties of 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide?
3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide has a molecular weight of 374.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]propanamide is sourced from PubChem (CID 164925577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).