N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide

C30H35N5O4S — CID 171673730

IUPACN-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide
SMILESCC(C)n1nccc1C(=O)N1CC2(CCCC2)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC4CC4)cc3)ccc21
InChIInChI=1S/C30H35N5O4S/c1-20(2)35-27(13-16-31-35)29(37)34-19-30(14-3-4-15-30)25-17-22(7-12-26(25)34)28(36)33-23-8-10-24(11-9-23)40(38,39)32-18-21-5-6-21/h7-13,16-17,20-21,32H,3-6,14-15,18-19H2,1-2H3,(H,33,36)
InChIKeyUJTQIIMDIPTCKQ-UHFFFAOYSA-N
MW561.71 g/mol
LogP4.88
Rot. Bonds8

About N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide

N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide (PubChem CID 171673730) has the molecular formula C30H35N5O4S and a molecular weight of 561.71 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide
PubChem CID171673730
Molecular FormulaC30H35N5O4S
Molecular Weight561.71 g/mol
Exact Mass561.24
IUPAC NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide
SMILESCC(C)n1nccc1C(=O)N1CC2(CCCC2)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC4CC4)cc3)ccc21
InChIInChI=1S/C30H35N5O4S/c1-20(2)35-27(13-16-31-35)29(37)34-19-30(14-3-4-15-30)25-17-22(7-12-26(25)34)28(36)33-23-8-10-24(11-9-23)40(38,39)32-18-21-5-6-21/h7-13,16-17,20-21,32H,3-6,14-15,18-19H2,1-2H3,(H,33,36)
InChIKeyUJTQIIMDIPTCKQ-UHFFFAOYSA-N
XLogP4.88
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.71
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 171705816
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N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
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(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
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CID 119287766
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CID 37004365
N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166871994
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
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3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide?
The IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide (CID 171673730) is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide?
The canonical SMILES for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide is CC(C)n1nccc1C(=O)N1CC2(CCCC2)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC4CC4)cc3)ccc21.
What is the InChIKey of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide?
The InChIKey is UJTQIIMDIPTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4S/c1-20(2)35-27(13-16-31-35)29(37)34-19-30(14-3-4-15-30)25-17-22(7-12-26(25)34)28(36)33-23-8-10-24(11-9-23)40(38,39)32-18-21-5-6-21/h7-13,16-17,20-21,32H,3-6,14-15,18-19H2,1-2H3,(H,33,36).
What are the key properties of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide?
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide has a molecular weight of 561.71 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-1-(2-propan-2-ylpyrazole-3-carbonyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide is sourced from PubChem (CID 171673730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).