3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide

C19H24N2O2S — CID 99949552

IUPAC3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCCN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-12-17(23-2)18(24-14)19(22)20-9-11-21-10-8-16(13-21)15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyKGNZCIIWIPBLCB-MRXNPFEDSA-N
MW344.48 g/mol
LogP3.28
Rot. Bonds6

About 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide

3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 99949552) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID99949552
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCCN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-12-17(23-2)18(24-14)19(22)20-9-11-21-10-8-16(13-21)15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyKGNZCIIWIPBLCB-MRXNPFEDSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
2-(2-methoxyphenyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749520
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591
3-[(3S)-3-phenylpyrrolidin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 1145568
1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 74245133
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 131891063
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide (CID 99949552) is 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide is COc1cc(C)sc1C(=O)NCCN1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is KGNZCIIWIPBLCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-12-17(23-2)18(24-14)19(22)20-9-11-21-10-8-16(13-21)15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide?
3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 99949552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).