N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C19H22N2O2S2 — CID 97071473

IUPACN-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N2CC[C@@H](N(C(=O)c3ccc(C)s3)C3CC3)C2)s1
InChIInChI=1S/C19H22N2O2S2/c1-12-3-7-16(24-12)18(22)20-10-9-15(11-20)21(14-5-6-14)19(23)17-8-4-13(2)25-17/h3-4,7-8,14-15H,5-6,9-11H2,1-2H3/t15-/m1/s1
InChIKeyWWZMJRQMLTWGSN-OAHLLOKOSA-N
MW374.53 g/mol
LogP3.95
Rot. Bonds4

About N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide

N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 97071473) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID97071473
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC NameN-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N2CC[C@@H](N(C(=O)c3ccc(C)s3)C3CC3)C2)s1
InChIInChI=1S/C19H22N2O2S2/c1-12-3-7-16(24-12)18(22)20-10-9-15(11-20)21(14-5-6-14)19(23)17-8-4-13(2)25-17/h3-4,7-8,14-15H,5-6,9-11H2,1-2H3/t15-/m1/s1
InChIKeyWWZMJRQMLTWGSN-OAHLLOKOSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 67965088
5-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 63175273
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[(3aS,4S,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 170558636
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 97071473) is N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)N2CC[C@@H](N(C(=O)c3ccc(C)s3)C3CC3)C2)s1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is WWZMJRQMLTWGSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c1-12-3-7-16(24-12)18(22)20-10-9-15(11-20)21(14-5-6-14)19(23)17-8-4-13(2)25-17/h3-4,7-8,14-15H,5-6,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97071473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).