N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide

C23H29N3O4S — CID 24610123

IUPACN-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C
InChIInChI=1S/C23H29N3O4S/c1-13-11-14(2)16(4)21(15(13)3)31(29,30)26-17(5)22(27)25-20-8-6-7-18(12-20)23(28)24-19-9-10-19/h6-8,11-12,17,19,26H,9-10H2,1-5H3,(H,24,28)(H,25,27)/t17-/m0/s1
InChIKeyJEUAMCUNTZFXBO-KRWDZBQOSA-N
MW443.57 g/mol
LogP3.12
Rot. Bonds7

About N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide

N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide (PubChem CID 24610123) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide
PubChem CID24610123
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C
InChIInChI=1S/C23H29N3O4S/c1-13-11-14(2)16(4)21(15(13)3)31(29,30)26-17(5)22(27)25-20-8-6-7-18(12-20)23(28)24-19-9-10-19/h6-8,11-12,17,19,26H,9-10H2,1-5H3,(H,24,28)(H,25,27)/t17-/m0/s1
InChIKeyJEUAMCUNTZFXBO-KRWDZBQOSA-N
XLogP3.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 17467528
methyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzoate
CID 9068798
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 42943353
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 103171744
N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 26110887
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 22109123
N-cyclopropyl-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzamide
CID 42894673
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 24553992
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide (CID 24610123) is N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C.
What is the InChIKey of N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide?
The InChIKey is JEUAMCUNTZFXBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-13-11-14(2)16(4)21(15(13)3)31(29,30)26-17(5)22(27)25-20-8-6-7-18(12-20)23(28)24-19-9-10-19/h6-8,11-12,17,19,26H,9-10H2,1-5H3,(H,24,28)(H,25,27)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide?
N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide has a molecular weight of 443.57 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide is sourced from PubChem (CID 24610123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).