actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide

C19H24Ac2N6O3S-2 — CID 59100351

IUPACactinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)cc1NC(=O)[C@H]([NH-])CCCNC(=[N-])N.[Ac].[Ac]
InChIInChI=1S/C19H24N6O3S.2Ac/c1-13-9-10-14(25-29(27,28)15-6-3-2-4-7-15)12-17(13)24-18(26)16(20)8-5-11-23-19(21)22;;/h2-4,6-7,9-10,12,16,20,25H,5,8,11H2,1H3,(H4-,21,22,23,24,26);;/q-2;;/t16-;;/m1../s1
InChIKeyIHVHVEHYYKEWCR-GGMCWBHBSA-N
MW870.51 g/mol
LogP2.41
Rot. Bonds9

About actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide

actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide (PubChem CID 59100351) has the molecular formula C19H24Ac2N6O3S-2 and a molecular weight of 870.51 g/mol. Its IUPAC name is actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide.

Molecular Properties

Compound Nameactinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide
PubChem CID59100351
Molecular FormulaC19H24Ac2N6O3S-2
Molecular Weight870.51 g/mol
Exact Mass870.22
IUPAC Nameactinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)cc1NC(=O)[C@H]([NH-])CCCNC(=[N-])N.[Ac].[Ac]
InChIInChI=1S/C19H24N6O3S.2Ac/c1-13-9-10-14(25-29(27,28)15-6-3-2-4-7-15)12-17(13)24-18(26)16(20)8-5-11-23-19(21)22;;/h2-4,6-7,9-10,12,16,20,25H,5,8,11H2,1H3,(H4-,21,22,23,24,26);;/q-2;;/t16-;;/m1../s1
InChIKeyIHVHVEHYYKEWCR-GGMCWBHBSA-N
XLogP2.41
TPSA159.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500870.51
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

actinium;[1-[5-(benzenesulfonamido)-2-methylanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]azanide
CID 21364786
N-[2-[5-(benzenesulfonamido)-2-methylanilino]-2-oxoethyl]-methylboronamidic acid
CID 21364805
(2S)-2-amino-N-[3-(benzenesulfonamido)-4-methylphenyl]-3-methylbutanamide
CID 119282611
(2S)-2-amino-3-[5-(benzenesulfonamido)-2-methylphenyl]propanoic acid
CID 177279774
1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
8-amino-N-[5-(benzenesulfonamido)-2-methylphenyl]dithionane-4-carboxamide
CID 21364809
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
1-(3-anilinopropyl)-3-[3-(3-anilinopropylcarbamoylamino)-4-methylphenyl]urea
CID 51134080
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
CID 134878844

Frequently Asked Questions

What is the IUPAC name of actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide?
The IUPAC name of actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide (CID 59100351) is actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide.
What is the SMILES notation for actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide?
The canonical SMILES for actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide is Cc1ccc(NS(=O)(=O)c2ccccc2)cc1NC(=O)[C@H]([NH-])CCCNC(=[N-])N.[Ac].[Ac].
What is the InChIKey of actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide?
The InChIKey is IHVHVEHYYKEWCR-GGMCWBHBSA-N. The full InChI is InChI=1S/C19H24N6O3S.2Ac/c1-13-9-10-14(25-29(27,28)15-6-3-2-4-7-15)12-17(13)24-18(26)16(20)8-5-11-23-19(21)22;;/h2-4,6-7,9-10,12,16,20,25H,5,8,11H2,1H3,(H4-,21,22,23,24,26);;/q-2;;/t16-;;/m1../s1.
What are the key properties of actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide?
actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide has a molecular weight of 870.51 g/mol, XLogP of 2.41, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[amino-[[(4R)-4-azanidyl-5-[5-(benzenesulfonamido)-2-methylanilino]-5-oxopentyl]amino]methylidene]azanide is sourced from PubChem (CID 59100351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).