N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide

C24H28N4O3S — CID 55814145

IUPACN,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C24H28N4O3S/c1-17-14-20-15-19(11-12-23(20)28(17)32(3,30)31)24(29)27(2)13-7-10-21-16-22(26-25-21)18-8-5-4-6-9-18/h4-6,8-9,11-12,15-17H,7,10,13-14H2,1-3H3,(H,25,26)
InChIKeyRWCQTIHWVLGKFG-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.49
Rot. Bonds7

About N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide

N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 55814145) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
PubChem CID55814145
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C24H28N4O3S/c1-17-14-20-15-19(11-12-23(20)28(17)32(3,30)31)24(29)27(2)13-7-10-21-16-22(26-25-21)18-8-5-4-6-9-18/h4-6,8-9,11-12,15-17H,7,10,13-14H2,1-3H3,(H,25,26)
InChIKeyRWCQTIHWVLGKFG-UHFFFAOYSA-N
XLogP3.49
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-1-methylsulfonyl-N-(2-phenoxyethyl)-2,3-dihydroindole-5-carboxamide
CID 51219316
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55814053
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814945
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814051
(2S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31641684
(2R)-N-(furan-2-ylmethyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27739678
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17496244
N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 86908163
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide
CID 52692656

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide (CID 55814145) is N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is RWCQTIHWVLGKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17-14-20-15-19(11-12-23(20)28(17)32(3,30)31)24(29)27(2)13-7-10-21-16-22(26-25-21)18-8-5-4-6-9-18/h4-6,8-9,11-12,15-17H,7,10,13-14H2,1-3H3,(H,25,26).
What are the key properties of N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide?
N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55814145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).