N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

C20H31N3O3S — CID 10250001

IUPACN-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CC1)CC2
InChIInChI=1S/C20H31N3O3S/c1-12-15-9-10-23(11-14-7-8-14)18(15)17(21-19(24)20(3,4)5)13(2)16(12)22-27(6,25)26/h14,22H,7-11H2,1-6H3,(H,21,24)
InChIKeyJTOFAJKSDOSNHT-UHFFFAOYSA-N
MW393.55 g/mol
LogP3.43
Rot. Bonds5

About N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10250001) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10250001
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CC1)CC2
InChIInChI=1S/C20H31N3O3S/c1-12-15-9-10-23(11-14-7-8-14)18(15)17(21-19(24)20(3,4)5)13(2)16(12)22-27(6,25)26/h14,22H,7-11H2,1-6H3,(H,21,24)
InChIKeyJTOFAJKSDOSNHT-UHFFFAOYSA-N
XLogP3.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10250001) is N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CC1)CC2.
What is the InChIKey of N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is JTOFAJKSDOSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-12-15-9-10-23(11-14-7-8-14)18(15)17(21-19(24)20(3,4)5)13(2)16(12)22-27(6,25)26/h14,22H,7-11H2,1-6H3,(H,21,24).
What are the key properties of N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 393.55 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10250001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).