N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide

C24H30N4O4S — CID 42780675

IUPACN-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)C2CC2)cc1
InChIInChI=1S/C24H30N4O4S/c1-32-20-11-7-16(8-12-20)23(31)28(19-9-10-19)14-22(30)27-24-26-18(15-33-24)13-21(29)25-17-5-3-2-4-6-17/h7-8,11-12,15,17,19H,2-6,9-10,13-14H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyLVVMOVYBUJZLSS-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.39
Rot. Bonds9

About N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide

N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide (PubChem CID 42780675) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
PubChem CID42780675
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)C2CC2)cc1
InChIInChI=1S/C24H30N4O4S/c1-32-20-11-7-16(8-12-20)23(31)28(19-9-10-19)14-22(30)27-24-26-18(15-33-24)13-21(29)25-17-5-3-2-4-6-17/h7-8,11-12,15,17,19H,2-6,9-10,13-14H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyLVVMOVYBUJZLSS-UHFFFAOYSA-N
XLogP3.39
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 4536086
N-cyclopropyl-N-[2-[[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 1031060
N-cyclopropyl-4-methoxy-N-[2-[[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 1031044
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029885
4-chloro-N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030947
N-cyclopropyl-N-[2-[[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 4188736
N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 1023898
N-[2-[[4-[2-(butan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
CID 3699857
N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
CID 1030991
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 1023878
N-cyclopropyl-N-[2-[[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42780663
N-cyclopropyl-N-[2-[[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 3535161

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
The IUPAC name of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide (CID 42780675) is N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
The canonical SMILES for N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide is COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)C2CC2)cc1.
What is the InChIKey of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
The InChIKey is LVVMOVYBUJZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-32-20-11-7-16(8-12-20)23(31)28(19-9-10-19)14-22(30)27-24-26-18(15-33-24)13-21(29)25-17-5-3-2-4-6-17/h7-8,11-12,15,17,19H,2-6,9-10,13-14H2,1H3,(H,25,29)(H,26,27,30).
What are the key properties of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide has a molecular weight of 470.60 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide is sourced from PubChem (CID 42780675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).