3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C25H29N3O3S — CID 92691365

IUPAC3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C25H29N3O3S/c29-25(26-23-9-5-7-19-6-1-2-8-22(19)23)13-17-27-16-12-20-18-21(10-11-24(20)27)32(30,31)28-14-3-4-15-28/h1-2,6,8,10-12,16,18,23H,3-5,7,9,13-15,17H2,(H,26,29)/t23-/m0/s1
InChIKeyACZOKQDNXYEGHZ-QHCPKHFHSA-N
MW451.59 g/mol
LogP4.01
Rot. Bonds6

About 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 92691365) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID92691365
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C25H29N3O3S/c29-25(26-23-9-5-7-19-6-1-2-8-22(19)23)13-17-27-16-12-20-18-21(10-11-24(20)27)32(30,31)28-14-3-4-15-28/h1-2,6,8,10-12,16,18,23H,3-5,7,9,13-15,17H2,(H,26,29)/t23-/m0/s1
InChIKeyACZOKQDNXYEGHZ-QHCPKHFHSA-N
XLogP4.01
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918800
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918968
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92691366
N-[(1S,2R)-2-methylcyclohexyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92505046
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581
2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20879530
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide
CID 92691357
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 23767525

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 92691365) is 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is ACZOKQDNXYEGHZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O3S/c29-25(26-23-9-5-7-19-6-1-2-8-22(19)23)13-17-27-16-12-20-18-21(10-11-24(20)27)32(30,31)28-14-3-4-15-28/h1-2,6,8,10-12,16,18,23H,3-5,7,9,13-15,17H2,(H,26,29)/t23-/m0/s1.
What are the key properties of 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 451.59 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 92691365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).