(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide

C18H29N3O4S — CID 7126519

IUPAC(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
SMILESCCCNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC
InChIInChI=1S/C18H29N3O4S/c1-4-12-19-17(22)11-10-16(18(23)20-13-5-2)21-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,21H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyUAGLXGPTHWMFPB-MRXNPFEDSA-N
MW383.51 g/mol
LogP1.47
Rot. Bonds11

About (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide

(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide (PubChem CID 7126519) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide.

Molecular Properties

Compound Name(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
PubChem CID7126519
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
SMILESCCCNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC
InChIInChI=1S/C18H29N3O4S/c1-4-12-19-17(22)11-10-16(18(23)20-13-5-2)21-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,21H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyUAGLXGPTHWMFPB-MRXNPFEDSA-N
XLogP1.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid
CID 127044139
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731
lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 171479381
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
CID 7730689
2-[(4-methylphenyl)sulfonylamino]pentanedioyl dichloride
CID 71384812
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
CID 9452306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
The IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide (CID 7126519) is (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide.
What is the SMILES notation for (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
The canonical SMILES for (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide is CCCNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC.
What is the InChIKey of (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
The InChIKey is UAGLXGPTHWMFPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-12-19-17(22)11-10-16(18(23)20-13-5-2)21-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,21H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide has a molecular weight of 383.51 g/mol, XLogP of 1.47, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide is sourced from PubChem (CID 7126519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).