(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide

C18H27N3O3S — CID 42122346

IUPAC(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C18H27N3O3S/c1-13(21-10-8-16(9-11-21)20-25(2,23)24)18(22)19-17-7-6-14-4-3-5-15(14)12-17/h6-7,12-13,16,20H,3-5,8-11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyPXUKKKDQHFQTCD-CYBMUJFWSA-N
MW365.50 g/mol
LogP1.52
Rot. Bonds5

About (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide

(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide (PubChem CID 42122346) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
PubChem CID42122346
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C18H27N3O3S/c1-13(21-10-8-16(9-11-21)20-25(2,23)24)18(22)19-17-7-6-14-4-3-5-15(14)12-17/h6-7,12-13,16,20H,3-5,8-11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyPXUKKKDQHFQTCD-CYBMUJFWSA-N
XLogP1.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
(2S)-2-[4-(methanesulfonamido)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 41331851
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9445071
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 1439451
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2R)-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 30635720
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 9459764
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 41331845

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide (CID 42122346) is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The InChIKey is PXUKKKDQHFQTCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-13(21-10-8-16(9-11-21)20-25(2,23)24)18(22)19-17-7-6-14-4-3-5-15(14)12-17/h6-7,12-13,16,20H,3-5,8-11H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide has a molecular weight of 365.50 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide is sourced from PubChem (CID 42122346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).