N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

C17H23N3O3S — CID 120652815

IUPACN-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H23N3O3S/c1-4-18-14(3)11-19-17(21)15-9-10-20(12-15)24(22,23)16-7-5-13(2)6-8-16/h5-10,12,14,18H,4,11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMFZUVPBUWUNMEY-CQSZACIVSA-N
MW349.46 g/mol
LogP1.76
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (PubChem CID 120652815) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
PubChem CID120652815
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H23N3O3S/c1-4-18-14(3)11-19-17(21)15-9-10-20(12-15)24(22,23)16-7-5-13(2)6-8-16/h5-10,12,14,18H,4,11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMFZUVPBUWUNMEY-CQSZACIVSA-N
XLogP1.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377
3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019
N-[(2R)-1-methoxypropan-2-yl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 95305472
N-[(2R)-2-(ethylamino)propyl]-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 120654941
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide;hydrochloride
CID 120946680
2-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119199273
1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501012
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 146501054
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 146501048
3-[ethyl-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]propanoic acid
CID 119191230
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one
CID 14510074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (CID 120652815) is N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is CCN[C@H](C)CNC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The InChIKey is MFZUVPBUWUNMEY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-18-14(3)11-19-17(21)15-9-10-20(12-15)24(22,23)16-7-5-13(2)6-8-16/h5-10,12,14,18H,4,11H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 120652815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).