3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide

C21H33N3O3S — CID 70693716

IUPAC3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CCN2CCc3ccccc32)CC1
InChIInChI=1S/C21H33N3O3S/c1-16(2)28(26,27)22-15-17-7-9-19(10-8-17)23-21(25)12-14-24-13-11-18-5-3-4-6-20(18)24/h3-6,16-17,19,22H,7-15H2,1-2H3,(H,23,25)
InChIKeyONWVQLLVRFYZGD-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.44
Rot. Bonds8

About 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide

3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide (PubChem CID 70693716) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide
PubChem CID70693716
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CCN2CCc3ccccc32)CC1
InChIInChI=1S/C21H33N3O3S/c1-16(2)28(26,27)22-15-17-7-9-19(10-8-17)23-21(25)12-14-24-13-11-18-5-3-4-6-20(18)24/h3-6,16-17,19,22H,7-15H2,1-2H3,(H,23,25)
InChIKeyONWVQLLVRFYZGD-UHFFFAOYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
3-(2,3-dihydroindol-1-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109034849
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
CID 63218976
N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 110247073
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
1-cyclopentyl-2-(2,3-dihydroindol-1-yl)ethanol
CID 104752368
N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
CID 114337184
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide (CID 70693716) is 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide is CC(C)S(=O)(=O)NCC1CCC(NC(=O)CCN2CCc3ccccc32)CC1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide?
The InChIKey is ONWVQLLVRFYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-16(2)28(26,27)22-15-17-7-9-19(10-8-17)23-21(25)12-14-24-13-11-18-5-3-4-6-20(18)24/h3-6,16-17,19,22H,7-15H2,1-2H3,(H,23,25).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide?
3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide has a molecular weight of 407.58 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide is sourced from PubChem (CID 70693716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).