3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide

C21H25N3O5S — CID 92688041

IUPAC3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccco3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C21H25N3O5S/c1-14-11-16-12-18(6-7-19(16)24(14)21(26)15-4-5-15)30(27,28)23-9-8-20(25)22-13-17-3-2-10-29-17/h2-3,6-7,10,12,14-15,23H,4-5,8-9,11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyIMMINQWXCBZPRD-CQSZACIVSA-N
MW431.51 g/mol
LogP1.95
Rot. Bonds8

About 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide

3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 92688041) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID92688041
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccco3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C21H25N3O5S/c1-14-11-16-12-18(6-7-19(16)24(14)21(26)15-4-5-15)30(27,28)23-9-8-20(25)22-13-17-3-2-10-29-17/h2-3,6-7,10,12,14-15,23H,4-5,8-9,11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyIMMINQWXCBZPRD-CQSZACIVSA-N
XLogP1.95
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 92687932
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20902125
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 92688096
1-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20911735
N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687986
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 20901692

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide (CID 92688041) is 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide is C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccco3)ccc2N1C(=O)C1CC1.
What is the InChIKey of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is IMMINQWXCBZPRD-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-14-11-16-12-18(6-7-19(16)24(14)21(26)15-4-5-15)30(27,28)23-9-8-20(25)22-13-17-3-2-10-29-17/h2-3,6-7,10,12,14-15,23H,4-5,8-9,11,13H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 431.51 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 92688041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).