4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide

C23H28ClN5O4S — CID 3463096

IUPAC4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1nc(CC(=O)NC2CCCCNC2=O)cs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN5O4S/c1-2-11-29(22(33)15-6-8-16(24)9-7-15)13-20(31)28-23-26-17(14-34-23)12-19(30)27-18-5-3-4-10-25-21(18)32/h6-9,14,18H,2-5,10-13H2,1H3,(H,25,32)(H,27,30)(H,26,28,31)
InChIKeyVPKSKPUKLFQOQF-UHFFFAOYSA-N
MW506.03 g/mol
LogP2.61
Rot. Bonds9

About 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide

4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide (PubChem CID 3463096) has the molecular formula C23H28ClN5O4S and a molecular weight of 506.03 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
PubChem CID3463096
Molecular FormulaC23H28ClN5O4S
Molecular Weight506.03 g/mol
Exact Mass505.16
IUPAC Name4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1nc(CC(=O)NC2CCCCNC2=O)cs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN5O4S/c1-2-11-29(22(33)15-6-8-16(24)9-7-15)13-20(31)28-23-26-17(14-34-23)12-19(30)27-18-5-3-4-10-25-21(18)32/h6-9,14,18H,2-5,10-13H2,1H3,(H,25,32)(H,27,30)(H,26,28,31)
InChIKeyVPKSKPUKLFQOQF-UHFFFAOYSA-N
XLogP2.61
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.03
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide with MolForge

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Related Compounds

3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 5206289
N-[2-[[4-[2-(butan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chloro-N-propylbenzamide
CID 4609586
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 1030181
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 3463098
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 1030180
4-chloro-N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030947
2-[2-[[2-[(4-chlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5218584
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 4536086
3,4-dichloro-N-[2-[[4-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 42779099
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4142910
2-[2-[[2-[(2-chlorobenzoyl)-propylamino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 42776336
N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 4609583

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide (CID 3463096) is 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1nc(CC(=O)NC2CCCCNC2=O)cs1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?
The InChIKey is VPKSKPUKLFQOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O4S/c1-2-11-29(22(33)15-6-8-16(24)9-7-15)13-20(31)28-23-26-17(14-34-23)12-19(30)27-18-5-3-4-10-25-21(18)32/h6-9,14,18H,2-5,10-13H2,1H3,(H,25,32)(H,27,30)(H,26,28,31).
What are the key properties of 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide?
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide has a molecular weight of 506.03 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide is sourced from PubChem (CID 3463096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).