N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide

C21H29ClN4O2S — CID 97244592

IUPACN-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide
SMILESCc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H29ClN4O2S/c1-13(2)21-23-14(3)20(29-21)15(4)25(5)12-19(28)26(6)11-18(27)24-17-10-8-7-9-16(17)22/h7-10,13,15H,11-12H2,1-6H3,(H,24,27)/t15-/m1/s1
InChIKeyFHOGSFIXACNCCD-OAHLLOKOSA-N
MW437.01 g/mol
LogP4.32
Rot. Bonds8

About N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide (PubChem CID 97244592) has the molecular formula C21H29ClN4O2S and a molecular weight of 437.01 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide
PubChem CID97244592
Molecular FormulaC21H29ClN4O2S
Molecular Weight437.01 g/mol
Exact Mass436.17
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide
SMILESCc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H29ClN4O2S/c1-13(2)21-23-14(3)20(29-21)15(4)25(5)12-19(28)26(6)11-18(27)24-17-10-8-7-9-16(17)22/h7-10,13,15H,11-12H2,1-6H3,(H,24,27)/t15-/m1/s1
InChIKeyFHOGSFIXACNCCD-OAHLLOKOSA-N
XLogP4.32
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide (CID 97244592) is N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide is Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide?
The InChIKey is FHOGSFIXACNCCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29ClN4O2S/c1-13(2)21-23-14(3)20(29-21)15(4)25(5)12-19(28)26(6)11-18(27)24-17-10-8-7-9-16(17)22/h7-10,13,15H,11-12H2,1-6H3,(H,24,27)/t15-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide has a molecular weight of 437.01 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 97244592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).