N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C29H29N3O3S — CID 16600525

IUPACN-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1C(=O)N1CCCCC1
InChIInChI=1S/C29H29N3O3S/c1-20-26(29(34)32-17-9-4-10-18-32)28(36-27(20)22-13-7-3-8-14-22)31-24(33)15-16-25-30-19-23(35-25)21-11-5-2-6-12-21/h2-3,5-8,11-14,19H,4,9-10,15-18H2,1H3,(H,31,33)
InChIKeyLJDJFUUIAYJNFY-UHFFFAOYSA-N
MW499.64 g/mol
LogP6.58
Rot. Bonds7

About N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 16600525) has the molecular formula C29H29N3O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID16600525
Molecular FormulaC29H29N3O3S
Molecular Weight499.64 g/mol
Exact Mass499.19
IUPAC NameN-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1C(=O)N1CCCCC1
InChIInChI=1S/C29H29N3O3S/c1-20-26(29(34)32-17-9-4-10-18-32)28(36-27(20)22-13-7-3-8-14-22)31-24(33)15-16-25-30-19-23(35-25)21-11-5-2-6-12-21/h2-3,5-8,11-14,19H,4,9-10,15-18H2,1H3,(H,31,33)
InChIKeyLJDJFUUIAYJNFY-UHFFFAOYSA-N
XLogP6.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55756308
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
CID 30972009
3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30185079
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55876030
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
2-(2,6-dimethylphenoxy)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26071737
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837843
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-2-nitrobenzamide
CID 16960108
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24600510

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 16600525) is N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is Cc1c(-c2ccccc2)sc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1C(=O)N1CCCCC1.
What is the InChIKey of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is LJDJFUUIAYJNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3S/c1-20-26(29(34)32-17-9-4-10-18-32)28(36-27(20)22-13-7-3-8-14-22)31-24(33)15-16-25-30-19-23(35-25)21-11-5-2-6-12-21/h2-3,5-8,11-14,19H,4,9-10,15-18H2,1H3,(H,31,33).
What are the key properties of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 499.64 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 16600525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).