(2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide

C18H21N5O3S — CID 155883049

IUPAC(2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc2[nH]nc(-c3cccc(S(=O)(=O)N(C)C)c3)c2c1
InChIInChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyHKVYLIVZRUYPKC-NSHDSACASA-N
MW387.47 g/mol
LogP1.77
Rot. Bonds5

About (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide

(2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide (PubChem CID 155883049) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide
PubChem CID155883049
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name(2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc2[nH]nc(-c3cccc(S(=O)(=O)N(C)C)c3)c2c1
InChIInChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyHKVYLIVZRUYPKC-NSHDSACASA-N
XLogP1.77
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-N-[3-(3-Sulfamoylphenyl)-2h-Indazol-5-Yl]acetamide
CID 67455813
N-{4-[(1H-indazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 1481964
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 53476532
1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
CID 67453293
2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67453714
2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67453874
1-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
CID 67456579
2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67463278
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 67465029
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
2-cyclohexyl-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 68229594
2-cyclopentyl-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 68229689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide (CID 155883049) is (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide is C[C@H](N)C(=O)Nc1ccc2[nH]nc(-c3cccc(S(=O)(=O)N(C)C)c3)c2c1.
What is the InChIKey of (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide?
The InChIKey is HKVYLIVZRUYPKC-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide?
(2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide has a molecular weight of 387.47 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[3-(dimethylsulfamoyl)phenyl]-1H-indazol-5-yl]propanamide is sourced from PubChem (CID 155883049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).