1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide

C22H31N3O4S — CID 20901752

IUPAC1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)C1
InChIInChI=1S/C22H31N3O4S/c1-15-5-4-10-24(13-15)21(26)14-23(3)30(28,29)19-8-9-20-18(12-19)11-16(2)25(20)22(27)17-6-7-17/h8-9,12,15-17H,4-7,10-11,13-14H2,1-3H3
InChIKeyBAANBNKZMXAKFL-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.25
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 20901752) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID20901752
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)C1
InChIInChI=1S/C22H31N3O4S/c1-15-5-4-10-24(13-15)21(26)14-23(3)30(28,29)19-8-9-20-18(12-19)11-16(2)25(20)22(27)17-6-7-17/h8-9,12,15-17H,4-7,10-11,13-14H2,1-3H3
InChIKeyBAANBNKZMXAKFL-UHFFFAOYSA-N
XLogP2.25
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901749
cyclopropyl-[(2R)-2-methyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 99731198
cyclopropyl-[(2R)-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 124770097
1-(cyclobutanecarbonyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20911763
2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 20901762
2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 46276287
N-methyl-N-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51884778
3,4-dimethoxy-N-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133186776
N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide
CID 20901783
(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914
cyclopropyl-[5-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 20902166
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide (CID 20901752) is 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide is CC1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BAANBNKZMXAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-15-5-4-10-24(13-15)21(26)14-23(3)30(28,29)19-8-9-20-18(12-19)11-16(2)25(20)22(27)17-6-7-17/h8-9,12,15-17H,4-7,10-11,13-14H2,1-3H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 433.57 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20901752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).