4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide

C24H30N4O4S — CID 118035243

IUPAC4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
SMILESCn1ccc2cccc(S(=O)(=O)NC3(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)CC3)c21
InChIInChI=1S/C24H30N4O4S/c1-28-8-5-15-3-2-4-18(20(15)28)33(31,32)27-24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19,27H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)
InChIKeyGOPKEBWCYKQUGB-UHFFFAOYSA-N
MW470.60 g/mol
LogP1.79
Rot. Bonds6

About 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide

4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide (PubChem CID 118035243) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
PubChem CID118035243
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
SMILESCn1ccc2cccc(S(=O)(=O)NC3(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)CC3)c21
InChIInChI=1S/C24H30N4O4S/c1-28-8-5-15-3-2-4-18(20(15)28)33(31,32)27-24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19,27H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)
InChIKeyGOPKEBWCYKQUGB-UHFFFAOYSA-N
XLogP1.79
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide (CID 118035243) is 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide is Cn1ccc2cccc(S(=O)(=O)NC3(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)CC3)c21.
What is the InChIKey of 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The InChIKey is GOPKEBWCYKQUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-28-8-5-15-3-2-4-18(20(15)28)33(31,32)27-24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19,27H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118035243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).