N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide

C23H30N4O3S — CID 4234813

IUPACN-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)CCN(C(=O)C3CCC3)C3CCCCC3)s2)c1
InChIInChI=1S/C23H30N4O3S/c1-30-19-12-6-9-17(15-19)21-25-26-23(31-21)24-20(28)13-14-27(18-10-3-2-4-11-18)22(29)16-7-5-8-16/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,24,26,28)
InChIKeyPPYPWIOUJXRHBU-UHFFFAOYSA-N
MW442.59 g/mol
LogP4.50
Rot. Bonds8

About N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide

N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide (PubChem CID 4234813) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide
PubChem CID4234813
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)CCN(C(=O)C3CCC3)C3CCCCC3)s2)c1
InChIInChI=1S/C23H30N4O3S/c1-30-19-12-6-9-17(15-19)21-25-26-23(31-21)24-20(28)13-14-27(18-10-3-2-4-11-18)22(29)16-7-5-8-16/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,24,26,28)
InChIKeyPPYPWIOUJXRHBU-UHFFFAOYSA-N
XLogP4.50
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-3,5,5-trimethylhexanamide
CID 93097289
N-cyclohexyl-3,5-dimethoxy-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 42736526
N-benzyl-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 42736949
N-[3-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-cyclohexyl-3,5-dimethoxybenzamide
CID 3933907
N-[3-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42737314
N-cyclohexyl-2-methoxy-N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 3458624
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-[cyclohexyl(3-phenylprop-2-enoyl)amino]propanamide
CID 3517504
2-fluoro-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propylbenzamide
CID 4001006
N-benzyl-N-[3-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclopropanecarboxamide
CID 5224848
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-[(3-methoxyphenyl)carbamoyl-propylamino]propanamide
CID 4538208
(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
CID 7288486
2-chloro-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 792656

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide?
The IUPAC name of N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide (CID 4234813) is N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide?
The canonical SMILES for N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide is COc1cccc(-c2nnc(NC(=O)CCN(C(=O)C3CCC3)C3CCCCC3)s2)c1.
What is the InChIKey of N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide?
The InChIKey is PPYPWIOUJXRHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-30-19-12-6-9-17(15-19)21-25-26-23(31-21)24-20(28)13-14-27(18-10-3-2-4-11-18)22(29)16-7-5-8-16/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,24,26,28).
What are the key properties of N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide?
N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide has a molecular weight of 442.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]cyclobutanecarboxamide is sourced from PubChem (CID 4234813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).