3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

C18H28N4O4S — CID 39135117

IUPAC3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C18H28N4O4S/c1-3-9-19-17(23)13-22-10-7-15(8-11-22)20-18(24)14-5-4-6-16(12-14)21-27(2,25)26/h4-6,12,15,21H,3,7-11,13H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCWJCRJBNYZSGCK-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.78
Rot. Bonds8

About 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 39135117) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID39135117
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C18H28N4O4S/c1-3-9-19-17(23)13-22-10-7-15(8-11-22)20-18(24)14-5-4-6-16(12-14)21-27(2,25)26/h4-6,12,15,21H,3,7-11,13H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCWJCRJBNYZSGCK-UHFFFAOYSA-N
XLogP0.78
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723372
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39144729
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
CID 39144071
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
CID 86986489
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46433872

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (CID 39135117) is 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is CCCNC(=O)CN1CCC(NC(=O)c2cccc(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is CWJCRJBNYZSGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-3-9-19-17(23)13-22-10-7-15(8-11-22)20-18(24)14-5-4-6-16(12-14)21-27(2,25)26/h4-6,12,15,21H,3,7-11,13H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 396.51 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 39135117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).