N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H29N3O3S — CID 119337006

IUPACN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)C2CC3CCCCC3N2)cc1
InChIInChI=1S/C19H29N3O3S/c1-14-7-9-16(10-8-14)26(24,25)20-11-12-22(2)19(23)18-13-15-5-3-4-6-17(15)21-18/h7-10,15,17-18,20-21H,3-6,11-13H2,1-2H3
InChIKeySYFAEHGHZSSBOS-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.65
Rot. Bonds6

About N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119337006) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119337006
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)C2CC3CCCCC3N2)cc1
InChIInChI=1S/C19H29N3O3S/c1-14-7-9-16(10-8-14)26(24,25)20-11-12-22(2)19(23)18-13-15-5-3-4-6-17(15)21-18/h7-10,15,17-18,20-21H,3-6,11-13H2,1-2H3
InChIKeySYFAEHGHZSSBOS-UHFFFAOYSA-N
XLogP1.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119337006) is N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C2CC3CCCCC3N2)cc1.
What is the InChIKey of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is SYFAEHGHZSSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-7-9-16(10-8-14)26(24,25)20-11-12-22(2)19(23)18-13-15-5-3-4-6-17(15)21-18/h7-10,15,17-18,20-21H,3-6,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119337006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).