2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C37H39ClN4O4S — CID 66700704

IUPAC2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCn1ccc2cc(S(=O)(=O)N3CCC4(CCN(C(=O)c5ccc6c(c5)C(N(C(=O)c5ccccc5Cl)C5CC5)CC6)C4)CC3)ccc21
InChIInChI=1S/C37H39ClN4O4S/c1-39-18-14-26-22-29(11-13-33(26)39)47(45,46)41-20-16-37(17-21-41)15-19-40(24-37)35(43)27-7-6-25-8-12-34(31(25)23-27)42(28-9-10-28)36(44)30-4-2-3-5-32(30)38/h2-7,11,13-14,18,22-23,28,34H,8-10,12,15-17,19-21,24H2,1H3
InChIKeyJLXDIBBAOXADRL-UHFFFAOYSA-N
MW671.26 g/mol
LogP6.44
Rot. Bonds6

About 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700704) has the molecular formula C37H39ClN4O4S and a molecular weight of 671.26 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID66700704
Molecular FormulaC37H39ClN4O4S
Molecular Weight671.26 g/mol
Exact Mass670.24
IUPAC Name2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCn1ccc2cc(S(=O)(=O)N3CCC4(CCN(C(=O)c5ccc6c(c5)C(N(C(=O)c5ccccc5Cl)C5CC5)CC6)C4)CC3)ccc21
InChIInChI=1S/C37H39ClN4O4S/c1-39-18-14-26-22-29(11-13-33(26)39)47(45,46)41-20-16-37(17-21-41)15-19-40(24-37)35(43)27-7-6-25-8-12-34(31(25)23-27)42(28-9-10-28)36(44)30-4-2-3-5-32(30)38/h2-7,11,13-14,18,22-23,28,34H,8-10,12,15-17,19-21,24H2,1H3
InChIKeyJLXDIBBAOXADRL-UHFFFAOYSA-N
XLogP6.44
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.26
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700704) is 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is Cn1ccc2cc(S(=O)(=O)N3CCC4(CCN(C(=O)c5ccc6c(c5)C(N(C(=O)c5ccccc5Cl)C5CC5)CC6)C4)CC3)ccc21.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is JLXDIBBAOXADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39ClN4O4S/c1-39-18-14-26-22-29(11-13-33(26)39)47(45,46)41-20-16-37(17-21-41)15-19-40(24-37)35(43)27-7-6-25-8-12-34(31(25)23-27)42(28-9-10-28)36(44)30-4-2-3-5-32(30)38/h2-7,11,13-14,18,22-23,28,34H,8-10,12,15-17,19-21,24H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 671.26 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[6-[8-(1-methylindol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).