(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide

C23H22BrN3O4S — CID 25197367

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide
SMILESO=C(CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H22BrN3O4S/c24-17-11-13-20(14-12-17)32(30,31)27-21(23(29)26-19-9-5-2-6-10-19)15-16-22(28)25-18-7-3-1-4-8-18/h1-14,21,27H,15-16H2,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyKSMXDDCMQDEGII-NRFANRHFSA-N
MW516.42 g/mol
LogP4.15
Rot. Bonds9

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide (PubChem CID 25197367) has the molecular formula C23H22BrN3O4S and a molecular weight of 516.42 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide
PubChem CID25197367
Molecular FormulaC23H22BrN3O4S
Molecular Weight516.42 g/mol
Exact Mass515.05
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide
SMILESO=C(CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H22BrN3O4S/c24-17-11-13-20(14-12-17)32(30,31)27-21(23(29)26-19-9-5-2-6-10-19)15-16-22(28)25-18-7-3-1-4-8-18/h1-14,21,27H,15-16H2,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyKSMXDDCMQDEGII-NRFANRHFSA-N
XLogP4.15
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.42
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
2-[4-[2-[(4-bromophenyl)sulfonylamino]hexanoylamino]phenyl]acetic acid
CID 19032833
2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
CID 50740483
methyl 3-[4-[[(2R)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]amino]phenyl]propanoate
CID 54050966
2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 19032889
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
(2R)-2-[(4-bromophenyl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104936115
(2S)-2-[(4-bromophenyl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935713
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide (CID 25197367) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide is O=C(CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide?
The InChIKey is KSMXDDCMQDEGII-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22BrN3O4S/c24-17-11-13-20(14-12-17)32(30,31)27-21(23(29)26-19-9-5-2-6-10-19)15-16-22(28)25-18-7-3-1-4-8-18/h1-14,21,27H,15-16H2,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide has a molecular weight of 516.42 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide is sourced from PubChem (CID 25197367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).