2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide

C18H22N4O3S — CID 67214997

IUPAC2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide
SMILESCN1CCC[C@H]1COc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1
InChIInChI=1S/C18H22N4O3S/c1-22-8-4-5-11(22)10-25-14-7-3-2-6-12(14)15-9-13(16(19)23)17(26-15)21-18(20)24/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H2,19,23)(H3,20,21,24)/t11-/m0/s1
InChIKeyJOHZVKWQRFMJSG-NSHDSACASA-N
MW374.47 g/mol
LogP2.48
Rot. Bonds6

About 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide (PubChem CID 67214997) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide
PubChem CID67214997
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide
SMILESCN1CCC[C@H]1COc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1
InChIInChI=1S/C18H22N4O3S/c1-22-8-4-5-11(22)10-25-14-7-3-2-6-12(14)15-9-13(16(19)23)17(26-15)21-18(20)24/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H2,19,23)(H3,20,21,24)/t11-/m0/s1
InChIKeyJOHZVKWQRFMJSG-NSHDSACASA-N
XLogP2.48
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
methyl 4-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoate
CID 58575050
2-amino-5-(2-ethoxyphenyl)thiophene-3-carboxamide
CID 67119835
4-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 114903767
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870
3-(carbamoylamino)-5-[2-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide
CID 10292131
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
CID 122185342
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
3-[(1-methylazetidin-2-yl)methoxy]benzamide
CID 175878992
2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
CID 10221992
cyclopentyl (2R)-2-amino-5-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenoxy]pentanoate
CID 67415740
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide (CID 67214997) is 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide is CN1CCC[C@H]1COc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1.
What is the InChIKey of 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is JOHZVKWQRFMJSG-NSHDSACASA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-22-8-4-5-11(22)10-25-14-7-3-2-6-12(14)15-9-13(16(19)23)17(26-15)21-18(20)24/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H2,19,23)(H3,20,21,24)/t11-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 67214997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).