7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole

C24H30N4O4S — CID 118035245

IUPAC7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole
SMILESCn1ccc2cccc(N(S(=O)O)C3(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)CC3)c21
InChIInChI=1S/C24H30N4O4S/c1-27-8-5-15-3-2-4-18(20(15)27)28(33(31)32)24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)(H,31,32)
InChIKeyFLWSLZWYOBSJIS-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.45
Rot. Bonds6

About 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole

7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole (PubChem CID 118035245) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole.

Molecular Properties

Compound Name7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole
PubChem CID118035245
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole
SMILESCn1ccc2cccc(N(S(=O)O)C3(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)CC3)c21
InChIInChI=1S/C24H30N4O4S/c1-27-8-5-15-3-2-4-18(20(15)27)28(33(31)32)24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)(H,31,32)
InChIKeyFLWSLZWYOBSJIS-UHFFFAOYSA-N
XLogP2.45
TPSA117.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-carbamoyl-4-[[1-(2,6-dichloro-N-sulfinoanilino)cyclopropanecarbonyl]amino]adamantane
CID 71247747
4-[[1-(2-bromo-N-sulfinoanilino)cyclopentanecarbonyl]amino]-1-carbamoyladamantane
CID 71247838
5-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylpyrazole
CID 118035089
4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035243
1-carbamoyl-4-[[1-(2-methyl-N-sulfinatoanilino)cyclopentanecarbonyl]amino]adamantane
CID 71247841
1-carbamoyl-4-[[1-(3-fluoro-4-methyl-N-sulfinoanilino)cyclobutanecarbonyl]amino]adamantane
CID 71247556
4-[[1-(2-bromo-N-sulfinatoanilino)cyclohexanecarbonyl]amino]-1-carbamoyladamantane
CID 71247935
5-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]methyl-sulfinatoamino]-1-methylindole
CID 118035285
4-[[1-[(2,6-dichlorophenyl)sulfonyl-methylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 71543143
4-[[1-[methyl-(4-phenylphenyl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 71543048
(3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxamide
CID 11624224
2-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]methyl-sulfinatoamino]thiophene
CID 118035341

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole?
The IUPAC name of 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole (CID 118035245) is 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole.
What is the SMILES notation for 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole?
The canonical SMILES for 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole is Cn1ccc2cccc(N(S(=O)O)C3(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)CC3)c21.
What is the InChIKey of 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole?
The InChIKey is FLWSLZWYOBSJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-27-8-5-15-3-2-4-18(20(15)27)28(33(31)32)24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)(H,31,32).
What are the key properties of 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole?
7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole has a molecular weight of 470.60 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]-sulfinoamino]-1-methylindole is sourced from PubChem (CID 118035245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).