1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C22H26N2O4S — CID 100610018

IUPAC1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)Oc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C22H26N2O4S/c1-15(2)28-19-5-3-4-16(12-19)14-23-29(26,27)20-8-9-21-18(13-20)10-11-24(21)22(25)17-6-7-17/h3-5,8-9,12-13,15,17,23H,6-7,10-11,14H2,1-2H3
InChIKeyBNHPSRRVIPKGAQ-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.25
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 100610018) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID100610018
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)Oc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C22H26N2O4S/c1-15(2)28-19-5-3-4-16(12-19)14-23-29(26,27)20-8-9-21-18(13-20)10-11-24(21)22(25)17-6-7-17/h3-5,8-9,12-13,15,17,23H,6-7,10-11,14H2,1-2H3
InChIKeyBNHPSRRVIPKGAQ-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 92708699
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20950660
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-(cyclopropanecarbonyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 51596357
1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100758290
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 100610018) is 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(C)Oc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BNHPSRRVIPKGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-15(2)28-19-5-3-4-16(12-19)14-23-29(26,27)20-8-9-21-18(13-20)10-11-24(21)22(25)17-6-7-17/h3-5,8-9,12-13,15,17,23H,6-7,10-11,14H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100610018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).